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Tubulin gamma chain

Tubulin is the major constituent of microtubules, protein filaments consisting of alpha- and beta-tubulin heterodimers. Gamma-tubulin is a key component of the gamma-tubulin ring complex (gTuRC) which mediates microtubule nucleation. The gTuRC regulates the minus-end nucleation of alpha-beta tubulin heterodimers that grow into microtubule protafilaments, a critical step in centrosome duplication and spindle formation.

AlphaFold DB , UniProt , Accession A0A087Y820, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low85.6Confident190 Ų19028.8 Ų28.894%0.93614%0.139SC*.  0120.40-72175.2176.900107.5
2P57.7Low86.2Confident35 Ų3532.1 Ų32.123%0.22715%0.154CC..  trans-52.2144.5171.2-24.535000110.4D49 R137P2-D49 WeakPolarHBondContact CB-OD2 3.46Å; P2-D49 VanDerWaalsContact CG-OD2 3.27Å; P2-D49 WeakPolarHBondContact CG-OD2 3.31Å; P2-R137 HydrophobicContact CB-CG 4.17Å; P2-R137 HydrophobicContact CG-CG 4.15Å
3R76.1Confident86.7Confident86 Ų8631.8 Ų31.833%0.32516%0.157SC..  trans-135.393.1-175.9-73.1-173.7-178.8-150.816107.2V50 K140 D259R3-V50 WeakPolarHBondContact O-CG1 3.34Å; R3-K140 HydrophobicContact CB-CD 4.44Å; R3-K140 HydrophobicContact CB-CG 3.65Å; R3-K140 VanDerWaalsContact CD-CE 3.48Å; R3-K140 HydrophobicContact CG-CD 4.3Å; R3-K140 VanDerWaalsContact CG-CE 3.45Å; R3-K140 HydrophobicContact CG-CG 4.05Å; R3-D259 IonicContact CZ-OD2 3.53Å; R3-D259 IonicContact NH1-OD2 2.64Å; R3-D259 PolarHBondContact NH1-OD2 2.92Å; R3-D259 IonicContact NH2-OD2 3.19Å
4E88.1Confident87.4Confident0 Ų029.6 Ų29.60%015%0.146CC..  trans-83.4151.1-169.3-62.1142.5145.200111.2V50 R63 S130 R137 M138 K140E4-V50 WeakPolarHBondContact CA-O 3.48Å; E4-R63 IonicContact OE1-CZ 2.75Å; E4-R63 VanDerWaalsContact OE1-CZ 3.25Å; E4-R63 IonicContact OE1-NH1 3.27Å; E4-R63 PolarHBondContact OE1-NH1 2.81Å; E4-R63 IonicContact OE1-NH2 2.77Å; E4-R63 PolarHBondContact OE1-NH2 2.95Å; E4-S130 VanDerWaalsContact OE2-C 3.25Å; E4-S130 WeakPolarHBondContact OE2-CA 2.96Å; E4-S130 VanDerWaalsContact OE2-CB 3.26Å; E4-S130 WeakPolarHBondContact OE2-CB 3.21Å; E4-R137 WeakPolarHBondContact OE1-CD 3.5Å; E4-R137 IonicContact OE1-NH1 2.76Å; E4-M138 PolarHBondContact N-O 3.37Å; E4-K140 PolarHBondContact O-N 3.17Å
5I92.4Very high88Confident4 Ų427.6 Ų27.62%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-132.3126.6178.9-63176.9000107.9V50 F51 V143 L250 L260I5-V50 HydrophobicContact CD1-CG1 4.17Å; I5-V50 HydrophobicContact CG1-CG1 4.4Å; I5-V50 PolarHBondContact N-O 3.09Å; I5-F51 HydrophobicContact CB-CE1 4.22Å; I5-F51 HydrophobicContact CD1-CZ 4.13Å; I5-F51 HydrophobicContact CG2-CE1 4.08Å; I5-V143 HydrophobicContact CG2-CB 4.1Å; I5-V143 HydrophobicContact CG2-CG2 3.45Å; I5-V143 VanDerWaalsContact CG2-CG2 3.45Å; I5-L250 HydrophobicContact CD1-CD1 3.7Å; I5-L260 HydrophobicContact CD1-CD2 4.39Å
6I95.9Very high88.5Confident0 Ų029.4 Ų29.40%014%0.144CC..EExtended strand (participates in β ladder)trans-92.5127.5173.8-63.5166.4000108.4L8 V65 E126 A127 L139 G141 F142 V143I6-L8 HydrophobicContact CG2-CD2 3.87Å; I6-V65 HydrophobicContact CG2-CG2 4.14Å; I6-E126 HydrophobicContact CD1-CB 3.81Å; I6-E126 HydrophobicContact CG1-CB 4.37Å; I6-A127 HydrophobicContact CD1-CB 4.16Å; I6-L139 HydrophobicContact CB-CD1 4.48Å; I6-L139 HydrophobicContact CD1-CD1 3.73Å; I6-L139 HydrophobicContact CD1-CD2 4.12Å; I6-L139 HydrophobicContact CG1-CD1 3.78Å; I6-G141 PolarHBondContact N-O 2.96Å; I6-F142 HydrophobicContact CB-CD1 3.92Å; I6-F142 HydrophobicContact CB-CE1 4.17Å; I6-F142 HydrophobicContact CD1-CE1 3.93Å; I6-F142 HydrophobicContact CG2-CD1 4.22Å; I6-F142 HydrophobicContact CG2-CE1 4.45Å; I6-F142 CarbonylContact O-C 3.56Å; I6-F142 WeakPolarHBondContact O-CA 3.48Å; I6-V143 PolarHBondContact O-N 3.49Å
7T97.7Very high88.9Confident0 Ų027.8 Ų27.80%014%0.136CC..EExtended strand (participates in β ladder)trans-99.7119.7178.3-54.50000110Q9 W22 R63 A64 V65 V143T7-Q9 HydrophobicContact CG2-CG 4.32Å; T7-W22 HydrophobicContact CG2-CZ2 4.49Å; T7-R63 PolarHBondContact N-O 3.33Å; T7-A64 CarbonylContact O-C 3.35Å; T7-A64 VanDerWaalsContact O-CA 3.3Å; T7-A64 WeakPolarHBondContact O-CA 3.49Å; T7-V65 PolarHBondContact O-N 2.89Å; T7-V143 CarbonylContact C-O 3.5Å; T7-V143 WeakPolarHBondContact CA-O 3.25Å; T7-V143 HydrophobicContact CG2-CG1 4.38Å
8L98.2Very high89.4Confident0 Ų026.2 Ų26.20%013%0.129CC..EExtended strand (participates in β ladder)trans-101.1115.9177.9-54.8-179.7000109.2I6 V65 I123 F142 V143 L144 C145 L164I6-L8 HydrophobicContact CG2-CD2 3.87Å; L8-V65 HydrophobicContact CD2-CB 3.72Å; L8-V65 HydrophobicContact CD2-CG1 4.4Å; L8-V65 HydrophobicContact CD2-CG2 3.92Å; L8-I123 HydrophobicContact CD1-CD1 4.35Å; L8-I123 HydrophobicContact CD2-CD1 4.17Å; L8-I123 HydrophobicContact CD2-CG1 4.09Å; L8-F142 HydrophobicContact CD1-CB 4.39Å; L8-F142 HydrophobicContact CD1-CD1 4.22Å; L8-F142 HydrophobicContact CG-CD1 4.46Å; L8-V143 PolarHBondContact N-O 2.97Å; L8-L144 HydrophobicContact CB-CD1 3.6Å; L8-L144 HydrophobicContact CD1-CD1 4.19Å; L8-C145 PolarHBondContact O-N 2.96Å; L8-L164 HydrophobicContact CD1-CD1 3.6Å
9Q98Very high89.8Confident0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-104.6114.8-179.1-65.4174-158.900110.1T7 N15 V65 L66 L67 C145T7-Q9 HydrophobicContact CG2-CG 4.32Å; Q9-N15 VanDerWaalsContact CB-OD1 3.22Å; Q9-N15 WeakPolarHBondContact CB-OD1 3.48Å; Q9-N15 PolarHBondContact NE2-OD1 3.47Å; Q9-N15 PolarHBondContact O-OD1 3.21Å; Q9-V65 PolarHBondContact N-O 3.06Å; Q9-L66 HydrophobicContact CB-CG 4.44Å; Q9-L67 PolarHBondContact O-N 3.44Å; Q9-C145 HydrophobicContact CG-CB 4.41Å
10L95.8Very high90.1Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-116123.5-171.6-59.1-173.6000113.7G14 L67 L144 C145 H146 L160L10-G14 WeakPolarHBondContact O-CA 3.44Å; L10-G14 PolarHBondContact O-N 3.31Å; L10-L67 HydrophobicContact CD2-CB 3.64Å; L10-L67 HydrophobicContact CD2-CD1 3.42Å; L10-L67 VanDerWaalsContact CD2-CD1 3.42Å; L10-L67 HydrophobicContact CD2-CG 3.95Å; L10-L144 HydrophobicContact CD1-CD1 3.46Å; L10-L144 VanDerWaalsContact CD1-CD1 3.46Å; L10-L144 HydrophobicContact CD1-CD2 4.32Å; L10-L144 HydrophobicContact CD1-CG 4.2Å; L10-L144 HydrophobicContact CG-CD1 3.78Å; L10-C145 PolarHBondContact N-O 3.43Å; L10-H146 HydrophobicContact CB-CB 4.06Å; L10-L160 HydrophobicContact CD1-CD1 3.89Å; L10-L160 HydrophobicContact CD2-CD1 3.67Å; L10-L160 HydrophobicContact CG-CD1 4.43Å
11G93.6Very high90.4Very high2 Ų225.4 Ų25.42%0.02112%0.123CC..Hα-helixtrans65.3-177.5175.900000113.3C13 G14 N15 L67 D68G11-C13 PolarHBondContact O-N 2.96Å; G11-G14 PolarHBondContact O-N 3.03Å; G11-N15 WeakPolarHBondContact O-CB 3.41Å; G11-N15 PolarHBondContact O-N 3.24Å; G11-N15 PolarHBondContact O-ND2 2.73Å; G11-N15 VanDerWaalsContact O-ND2 3.11Å; G11-L67 PolarHBondContact N-O 3.4Å; G11-D68 WeakPolarHBondContact CA-OD2 3.46Å
12Q92.3Very high92.8Very high68 Ų6816.4 Ų16.432%0.3188%0.079SC..Hα-helixtrans-50.7-52.2-175165.5178.8-23.800113.7Q16 D68 V73Q12-Q16 WeakPolarHBondContact O-CB 3.45Å; Q12-Q16 WeakPolarHBondContact O-CG 3.39Å; Q12-Q16 PolarHBondContact O-N 3.33Å; Q12-Q16 VanDerWaalsContact O-N 3.07Å; Q12-D68 PolarHBondContact N-OD2 3.4Å; Q12-D68 VanDerWaalsContact N-OD2 3.13Å; Q12-V73 HydrophobicContact CB-CG2 3.88Å; Q12-V73 HydrophobicContact CG-CG2 3.77Å
13C93.2Very high94.6Very high29 Ų2918.3 Ų18.320%0.1968%0.084CC..Hα-helixtrans-67.5-45.2-175.8-179.70000111.6G11 N15 Q16 I17G11-C13 PolarHBondContact O-N 2.96Å; C13-N15 PolarHBondContact O-N 3.26Å; C13-Q16 PolarHBondContact O-N 3.25Å; C13-I17 WeakPolarHBondContact O-CG1 3.26Å; C13-I17 PolarHBondContact O-N 2.97Å
14G95.9Very high95.4Very high0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-61-43.4179.300000112.8L10 G11 I17 G18 C145L10-G14 WeakPolarHBondContact O-CA 3.44Å; L10-G14 PolarHBondContact O-N 3.31Å; G11-G14 PolarHBondContact O-N 3.03Å; G14-I17 WeakPolarHBondContact O-CG1 3.38Å; G14-G18 PolarHBondContact O-N 3.4Å; G14-C145 WeakPolarHBondContact CA-O 2.93Å
15N96.6Very high95.8Very high0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-66.8-39.4177.1-75.7-49000112.7Q9 G11 C13 F19 L67 D68 V73 I77Q9-N15 VanDerWaalsContact CB-OD1 3.22Å; Q9-N15 WeakPolarHBondContact CB-OD1 3.48Å; Q9-N15 PolarHBondContact NE2-OD1 3.47Å; Q9-N15 PolarHBondContact O-OD1 3.21Å; G11-N15 WeakPolarHBondContact O-CB 3.41Å; G11-N15 PolarHBondContact O-N 3.24Å; G11-N15 PolarHBondContact O-ND2 2.73Å; G11-N15 VanDerWaalsContact O-ND2 3.11Å; C13-N15 PolarHBondContact O-N 3.26Å; N15-F19 VanDerWaalsContact O-CB 3.26Å; N15-F19 WeakPolarHBondContact O-CB 3.35Å; N15-F19 PolarHBondContact O-N 2.84Å; N15-L67 PolarHBondContact ND2-O 3.38Å; N15-D68 PolarHBondContact ND2-OD2 3.11Å; N15-V73 HydrophobicContact CB-CG1 3.64Å; N15-I77 HydrophobicContact CB-CD1 4.31Å
16Q95.8Very high95.9Very high57 Ų5716.5 Ų16.527%0.2668%0.079SC..Hα-helixtrans-69.9-42.1178.9-72.3176.6-25.400113.2Q12 C13 E20 V73 N236Q12-Q16 WeakPolarHBondContact O-CB 3.45Å; Q12-Q16 WeakPolarHBondContact O-CG 3.39Å; Q12-Q16 PolarHBondContact O-N 3.33Å; Q12-Q16 VanDerWaalsContact O-N 3.07Å; C13-Q16 PolarHBondContact O-N 3.25Å; Q16-E20 PolarHBondContact O-N 3.45Å; Q16-V73 HydrophobicContact CG-CG1 3.81Å; Q16-N236 WeakPolarHBondContact CB-ND2 3.36Å
17I96.4Very high95.8Very high1 Ų118.4 Ų18.41%0.0059%0.094CC..Hα-helixtrans-70.7-37.4175.967.7-179.3000111.3C13 G14 E20 F21 C145 V178 N236 V239C13-I17 WeakPolarHBondContact O-CG1 3.26Å; C13-I17 PolarHBondContact O-N 2.97Å; G14-I17 WeakPolarHBondContact O-CG1 3.38Å; I17-E20 PolarHBondContact O-N 3.15Å; I17-F21 WeakPolarHBondContact O-CB 3.43Å; I17-F21 PolarHBondContact O-N 2.79Å; I17-C145 HydrophobicContact CD1-CB 4.06Å; I17-C145 HydrophobicContact CG1-CB 4.18Å; I17-V178 HydrophobicContact CD1-CG2 3.94Å; I17-N236 HydrophobicContact CG2-CB 4.41Å; I17-N236 WeakPolarHBondContact CG2-OD1 3.41Å; I17-V239 HydrophobicContact CB-CG1 4Å; I17-V239 HydrophobicContact CD1-CG1 4.48Å; I17-V239 HydrophobicContact CG2-CB 4.44Å; I17-V239 HydrophobicContact CG2-CG1 3.97Å
18G96.8Very high95.5Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-62.7-42.5175.900000111.8G14 E20 F21 W22G14-G18 PolarHBondContact O-N 3.4Å; G18-E20 PolarHBondContact O-N 3.39Å; G18-F21 WeakPolarHBondContact O-CB 3.4Å; G18-F21 PolarHBondContact O-N 2.91Å; G18-F21 VanDerWaalsContact O-N 3.17Å; G18-W22 PolarHBondContact O-N 3.25Å
19F97.1Very high95.2Very high33 Ų3319.1 Ų19.115%0.14510%0.098CC..Hα-helixtrans-58.1-49.2175.6-179-103.8000113N15 F21 W22 K23 I77 S80 Y82 Y86N15-F19 VanDerWaalsContact O-CB 3.26Å; N15-F19 WeakPolarHBondContact O-CB 3.35Å; N15-F19 PolarHBondContact O-N 2.84Å; F19-F21 VanDerWaalsContact C-N 3.3Å; F19-F21 PolarHBondContact O-N 3.05Å; F19-W22 PolarHBondContact O-N 2.81Å; F19-K23 WeakPolarHBondContact O-CB 3.46Å; F19-K23 PolarHBondContact O-N 3.13Å; F19-I77 HydrophobicContact CB-CD1 4.22Å; F19-I77 HydrophobicContact CB-CG1 4.39Å; F19-I77 HydrophobicContact CD2-CB 4.33Å; F19-I77 HydrophobicContact CD2-CD1 4.27Å; F19-I77 HydrophobicContact CD2-CG1 3.78Å; F19-I77 HydrophobicContact CD2-CG2 3.87Å; F19-I77 HydrophobicContact CE2-CG1 4.31Å; F19-I77 HydrophobicContact CE2-CG2 4.02Å; F19-I77 HydrophobicContact CG-CG1 4.17Å; F19-S80 WeakPolarHBondContact CE2-OG 3.49Å; F19-S80 WeakPolarHBondContact CZ-OG 3.35Å; F19-Y82 HydrophobicContact CE2-CG 4.45Å; F19-Y82 HydrophobicContact CZ-CD2 4.24Å; F19-Y86 HydrophobicContact CD2-CE2 4.25Å
20E96.4Very high95Very high26 Ų2619.3 Ų19.312%0.12110%0.099CC..Hα-helixtrans-67.4-31.2176.5-68.3-63.4156.900112.3Q16 I17 G18 K23 Q24 N236 S240Q16-E20 PolarHBondContact O-N 3.45Å; I17-E20 PolarHBondContact O-N 3.15Å; G18-E20 PolarHBondContact O-N 3.39Å; E20-K23 IonicContact OE2-NZ 3.85Å; E20-Q24 WeakPolarHBondContact O-CB 3.3Å; E20-Q24 PolarHBondContact O-N 2.8Å; E20-N236 HydrophobicContact CG-CB 4.02Å; E20-S240 WeakPolarHBondContact O-CB 3.28Å
21F96.9Very high94.9Very high3 Ų319.6 Ų19.61%0.01310%0.101CC..Hα-helixtrans-64-49.1173.9170.5-110.4000112.1I17 G18 F19 Q24 L25 F51 M243I17-F21 WeakPolarHBondContact O-CB 3.43Å; I17-F21 PolarHBondContact O-N 2.79Å; G18-F21 WeakPolarHBondContact O-CB 3.4Å; G18-F21 PolarHBondContact O-N 2.91Å; G18-F21 VanDerWaalsContact O-N 3.17Å; F19-F21 VanDerWaalsContact C-N 3.3Å; F19-F21 PolarHBondContact O-N 3.05Å; F21-Q24 WeakPolarHBondContact O-CB 3.31Å; F21-Q24 PolarHBondContact O-N 3.4Å; F21-L25 HydrophobicContact CD1-CD1 4.41Å; F21-L25 HydrophobicContact CD2-CG 4.38Å; F21-L25 HydrophobicContact CE1-CD1 3.69Å; F21-L25 HydrophobicContact CE1-CG 4.33Å; F21-L25 HydrophobicContact CE2-CD1 4.03Å; F21-L25 HydrophobicContact CE2-CD2 4.08Å; F21-L25 HydrophobicContact CE2-CG 3.98Å; F21-L25 HydrophobicContact CZ-CD1 3.48Å; F21-L25 VanDerWaalsContact CZ-CD1 3.48Å; F21-L25 HydrophobicContact CZ-CD2 4.32Å; F21-L25 HydrophobicContact CZ-CG 3.96Å; F21-L25 WeakPolarHBondContact O-CG 3.37Å; F21-L25 PolarHBondContact O-N 2.88Å; F21-F51 HydrophobicContact CE1-CD1 4.42Å; F21-F51 HydrophobicContact CE1-CE1 4.37Å; F21-F51 HydrophobicContact CZ-CD1 4.43Å; F21-F51 HydrophobicContact CZ-CE1 4.14Å; F21-F51 HydrophobicContact CZ-CZ 4.41Å; F21-M243 HydrophobicContact CB-CE 3.93Å; F21-M243 HydrophobicContact CB-SD 4.28Å; F21-M243 HydrophobicContact CD1-CE 4.13Å; F21-M243 HydrophobicContact CD2-CB 3.51Å; F21-M243 HydrophobicContact CD2-CE 4.09Å; F21-M243 HydrophobicContact CE2-CB 3.87Å; F21-M243 HydrophobicContact CG-CB 4.3Å; F21-M243 HydrophobicContact CG-CE 3.79Å
22W97.3Very high95Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-65.7-40.1178.3-72.1114.5000112.7T7 G18 F19 Q24 L25 C26 F51 F52 P62 A64 L85 Y86T7-W22 HydrophobicContact CG2-CZ2 4.49Å; G18-W22 PolarHBondContact O-N 3.25Å; F19-W22 PolarHBondContact O-N 2.81Å; W22-Q24 VanDerWaalsContact C-N 3.29Å; W22-Q24 PolarHBondContact O-N 2.85Å; W22-L25 HydrophobicContact CE3-CB 4.5Å; W22-L25 HydrophobicContact CE3-CD1 3.87Å; W22-L25 HydrophobicContact CZ3-CD1 3.81Å; W22-L25 PolarHBondContact O-N 3.16Å; W22-L25 VanDerWaalsContact O-N 3.15Å; W22-C26 PolarHBondContact O-N 2.86Å; W22-C26 PolarHBondContact O-SG 2.64Å; W22-C26 VanDerWaalsContact O-SG 3.34Å; W22-F51 HydrophobicContact CH2-CB 3.73Å; W22-F51 AromaticContact CH2-CD1 3.92Å; W22-F51 HydrophobicContact CH2-CD1 3.92Å; W22-F51 HydrophobicContact CH2-CG 4.28Å; W22-F51 VanDerWaalsContact CH2-O 3.22Å; W22-F51 WeakPolarHBondContact CH2-O 3.43Å; W22-F51 HydrophobicContact CZ3-CB 3.76Å; W22-F52 AromaticContact CE3-CE1 3.94Å; W22-F52 HydrophobicContact CE3-CE1 3.94Å; W22-F52 HydrophobicContact CE3-CE2 4.5Å; W22-F52 AromaticContact CE3-CZ 3.83Å; W22-F52 HydrophobicContact CE3-CZ 3.83Å; W22-F52 HydrophobicContact CZ3-CD1 4.32Å; W22-F52 HydrophobicContact CZ3-CD2 4.5Å; W22-F52 AromaticContact CZ3-CE1 3.97Å; W22-F52 HydrophobicContact CZ3-CE1 3.97Å; W22-F52 HydrophobicContact CZ3-CE2 4.16Å; W22-F52 AromaticContact CZ3-CZ 3.88Å; W22-F52 HydrophobicContact CZ3-CZ 3.88Å; W22-P62 HydrophobicContact CD2-CB 3.75Å; W22-P62 HydrophobicContact CD2-CG 4.13Å; W22-P62 HydrophobicContact CE3-CB 3.68Å; W22-P62 HydrophobicContact CE3-CG 3.95Å; W22-P62 HydrophobicContact CG-CB 4.46Å; W22-P62 HydrophobicContact CH2-CB 3.81Å; W22-P62 HydrophobicContact CZ2-CB 3.89Å; W22-P62 HydrophobicContact CZ3-CB 3.69Å; W22-P62 HydrophobicContact CZ3-CG 4.32Å; W22-A64 HydrophobicContact CZ2-CB 3.73Å; W22-L85 HydrophobicContact CB-CD2 4.36Å; W22-Y86 AromaticContact CD1-CE1 3.73Å; W22-Y86 HydrophobicContact CG-CE1 4.2Å
23K95.6Very high95.2Very high76 Ų7618.3 Ų18.333%0.3310%0.098SC..Hα-helixtrans-56.6-43.9171.7178.5177.6172.7-166.50112F19 E20 C26 A27 Y82F19-K23 WeakPolarHBondContact O-CB 3.46Å; F19-K23 PolarHBondContact O-N 3.13Å; E20-K23 IonicContact OE2-NZ 3.85Å; K23-C26 PolarHBondContact O-N 3.47Å; K23-A27 PolarHBondContact O-N 3.17Å; K23-A27 VanDerWaalsContact O-N 3.13Å; K23-Y82 HydrophobicContact CB-CE1 4.38Å; K23-Y82 HydrophobicContact CD-CE2 4.17Å; K23-Y82 HydrophobicContact CG-CE1 4.28Å; K23-Y82 HydrophobicContact CG-CE2 4.04Å
24Q94.4Very high95.1Very high52 Ų5220.8 Ų20.824%0.24311%0.107CC..Hα-helixtrans-64.7-41.3176.3-178.961.725.200111.6E20 F21 W22 A27 E28E20-Q24 WeakPolarHBondContact O-CB 3.3Å; E20-Q24 PolarHBondContact O-N 2.8Å; F21-Q24 WeakPolarHBondContact O-CB 3.31Å; F21-Q24 PolarHBondContact O-N 3.4Å; W22-Q24 VanDerWaalsContact C-N 3.29Å; W22-Q24 PolarHBondContact O-N 2.85Å; Q24-A27 PolarHBondContact O-N 3.34Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.45Å; Q24-E28 PolarHBondContact NE2-OE1 3.4Å; Q24-E28 WeakPolarHBondContact O-CB 3.34Å; Q24-E28 WeakPolarHBondContact O-CG 3.29Å; Q24-E28 PolarHBondContact O-N 3.27Å
25L95.2Very high95Very high0 Ų020.8 Ų20.80%011%0.107CC..Hα-helixtrans-64-44.6175.7-70.7-166.5000112.2F21 W22 A27 E28 H29 F51 F52F21-L25 HydrophobicContact CD1-CD1 4.41Å; F21-L25 HydrophobicContact CD2-CG 4.38Å; F21-L25 HydrophobicContact CE1-CD1 3.69Å; F21-L25 HydrophobicContact CE1-CG 4.33Å; F21-L25 HydrophobicContact CE2-CD1 4.03Å; F21-L25 HydrophobicContact CE2-CD2 4.08Å; F21-L25 HydrophobicContact CE2-CG 3.98Å; F21-L25 HydrophobicContact CZ-CD1 3.48Å; F21-L25 VanDerWaalsContact CZ-CD1 3.48Å; F21-L25 HydrophobicContact CZ-CD2 4.32Å; F21-L25 HydrophobicContact CZ-CG 3.96Å; F21-L25 WeakPolarHBondContact O-CG 3.37Å; F21-L25 PolarHBondContact O-N 2.88Å; W22-L25 HydrophobicContact CE3-CB 4.5Å; W22-L25 HydrophobicContact CE3-CD1 3.87Å; W22-L25 HydrophobicContact CZ3-CD1 3.81Å; W22-L25 PolarHBondContact O-N 3.16Å; W22-L25 VanDerWaalsContact O-N 3.15Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 2.87Å; L25-E28 PolarHBondContact O-N 2.7Å; L25-E28 VanDerWaalsContact O-N 3.12Å; L25-H29 WeakPolarHBondContact O-CB 3.44Å; L25-H29 PolarHBondContact O-CD2 2.87Å; L25-H29 PolarHBondContact O-N 3.36Å; L25-F51 HydrophobicContact CD1-CB 4.13Å; L25-F51 HydrophobicContact CD1-CD2 4.41Å; L25-F51 HydrophobicContact CD1-CG 4.11Å; L25-F52 HydrophobicContact CB-CE2 4.09Å; L25-F52 HydrophobicContact CB-CZ 3.96Å; L25-F52 HydrophobicContact CD1-CE2 4.35Å
26C95.3Very high94.8Very high0 Ų024.5 Ų24.50%013%0.126CC..Hα-helixtrans-54.2-48.4175.1-73.50000111W22 K23 E28 H29 G30 I31 Y82 L85W22-C26 PolarHBondContact O-N 2.86Å; W22-C26 PolarHBondContact O-SG 2.64Å; W22-C26 VanDerWaalsContact O-SG 3.34Å; K23-C26 PolarHBondContact O-N 3.47Å; C26-E28 VanDerWaalsContact C-N 3.35Å; C26-E28 PolarHBondContact O-N 3.28Å; C26-H29 PolarHBondContact O-N 3.38Å; C26-G30 PolarHBondContact O-N 3Å; C26-I31 CarbonylContact C-O 3.55Å; C26-I31 HydrophobicContact CB-CB 4.32Å; C26-I31 WeakPolarHBondContact CB-O 3.37Å; C26-I31 PolarHBondContact O-N 3.35Å; C26-Y82 HydrophobicContact CB-CE1 4.21Å; C26-L85 VanDerWaalsContact SG-CD2 3.58Å
27A93.3Very high94.6Very high39 Ų3922.7 Ų22.732%0.32212%0.119SC..Hα-helixtrans-64-36.9177.900000113.1K23 Q24 L25 L374K23-A27 PolarHBondContact O-N 3.17Å; K23-A27 VanDerWaalsContact O-N 3.13Å; Q24-A27 PolarHBondContact O-N 3.34Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 2.87Å; A27-L374 HydrophobicContact CB-CD2 4Å
28E91.9Very high94.3Very high15 Ų1526.3 Ų26.37%0.0714%0.136CC..Hα-helixtrans-72.7-28.6177.3-78-179-153.800114Q24 L25 C26 S244 R251 Y252 S371 Y373 L374Q24-E28 WeakPolarHBondContact CG-OE1 3.45Å; Q24-E28 PolarHBondContact NE2-OE1 3.4Å; Q24-E28 WeakPolarHBondContact O-CB 3.34Å; Q24-E28 WeakPolarHBondContact O-CG 3.29Å; Q24-E28 PolarHBondContact O-N 3.27Å; L25-E28 PolarHBondContact O-N 2.7Å; L25-E28 VanDerWaalsContact O-N 3.12Å; C26-E28 VanDerWaalsContact C-N 3.35Å; C26-E28 PolarHBondContact O-N 3.28Å; E28-S244 PolarHBondContact OE1-OG 3.45Å; E28-S244 PolarHBondContact OE2-OG 3.05Å; E28-R251 IonicContact OE2-CZ 2.6Å; E28-R251 IonicContact OE2-NH1 2.72Å; E28-R251 PolarHBondContact OE2-NH1 2.75Å; E28-R251 IonicContact OE2-NH2 3.65Å; E28-R251 PolarHBondContact OE2-NH2 2.83Å; E28-Y252 PolarHBondContact O-OH 2.73Å; E28-S371 VanDerWaalsContact O-CB 3.26Å; E28-S371 WeakPolarHBondContact O-CB 3.5Å; E28-S371 PolarHBondContact O-OG 3.04Å; E28-Y373 VanDerWaalsContact O-CD2 3.24Å; E28-Y373 WeakPolarHBondContact O-CD2 3.16Å; E28-L374 HydrophobicContact CB-CD1 4.5Å; E28-L374 HydrophobicContact CG-CD1 3.49Å; E28-L374 VanDerWaalsContact CG-CD1 3.49Å; E28-L374 HydrophobicContact CG-CG 4.49Å
29H92.4Very high93.9Very high1 Ų134.7 Ų34.71%0.00518%0.175CC..Hα-helixtrans-99.3-4.8-178.1-73.4-74.6000113.5L25 C26 I31 D46 K48 R251 Y373L25-H29 WeakPolarHBondContact O-CB 3.44Å; L25-H29 PolarHBondContact O-CD2 2.87Å; L25-H29 PolarHBondContact O-N 3.36Å; C26-H29 PolarHBondContact O-N 3.38Å; H29-I31 HydrophobicContact CB-CD1 3.76Å; H29-I31 HydrophobicContact CB-CG1 3.96Å; H29-D46 IonicContact CE1-OD2 3.61Å; H29-D46 IonicContact CG-OD2 3.66Å; H29-D46 IonicContact ND1-OD2 2.68Å; H29-D46 PolarHBondContact ND1-OD2 3Å; H29-K48 HydrophobicContact CB-CG 4.33Å; H29-K48 VanDerWaalsContact O-CE 3.28Å; H29-K48 WeakPolarHBondContact O-CE 3.4Å; H29-R251 WeakPolarHBondContact NE2-CD 3.28Å; H29-R251 PolarHBondContact NE2-NH1 2.89Å; H29-Y373 VanDerWaalsContact C-CE2 3.47Å; H29-Y373 WeakPolarHBondContact O-CE2 3.38Å
30G92.9Very high93.4Very high3 Ų339.4 Ų39.43%0.03120%0.196CC..THydrogen-bonded Turntrans67.744.2-178.200000111.7C26 E38 A41C26-G30 PolarHBondContact O-N 3Å; G30-E38 WeakPolarHBondContact O-CB 3.47Å; G30-E38 WeakPolarHBondContact O-CG 3.38Å; G30-E38 PolarHBondContact O-N 3Å; G30-A41 WeakPolarHBondContact O-CB 3.41Å
31I94.4Very high92.9Very high7 Ų738.2 Ų38.24%0.03619%0.19CC..BIsolated β-bridgetrans-110.8131.9177.8-54.9169.4000107.2C26 H29 G35 I36 K48 F52 Y60C26-I31 CarbonylContact C-O 3.55Å; C26-I31 HydrophobicContact CB-CB 4.32Å; C26-I31 WeakPolarHBondContact CB-O 3.37Å; C26-I31 PolarHBondContact O-N 3.35Å; H29-I31 HydrophobicContact CB-CD1 3.76Å; H29-I31 HydrophobicContact CB-CG1 3.96Å; I31-G35 VanDerWaalsContact CG2-C 3.43Å; I31-I36 CarbonylContact C-O 3.48Å; I31-I36 WeakPolarHBondContact CA-O 3.2Å; I31-K48 HydrophobicContact CD1-CD 4.31Å; I31-F52 HydrophobicContact CD1-CD1 4.29Å; I31-F52 HydrophobicContact CD1-CD2 4.18Å; I31-F52 HydrophobicContact CD1-CE1 4.08Å; I31-F52 HydrophobicContact CD1-CE2 3.97Å; I31-F52 HydrophobicContact CD1-CG 4.35Å; I31-F52 HydrophobicContact CD1-CZ 3.92Å; I31-Y60 HydrophobicContact CD1-CG 4.24Å
32S95.2Very high92.1Very high10 Ų1042.5 Ų42.57%0.0722%0.217CC..  trans-67.9165.2177.590.20000111.4E34 G35 I36S32-E34 WeakPolarHBondContact CB-OE2 3.41Å; S32-E34 PolarHBondContact O-N 3.26Å; S32-E34 VanDerWaalsContact O-N 3.13Å; S32-E34 PolarHBondContact OG-N 3.18Å; S32-E34 PolarHBondContact OG-OE2 3.49Å; S32-G35 PolarHBondContact O-N 3.07Å; S32-I36 PolarHBondContact N-O 3.26Å; S32-I36 PolarHBondContact OG-N 3.1Å
33P95.4Very high91.2Very high32 Ų3251.2 Ų51.221%0.20826%0.257CS..THydrogen-bonded Turntrans-57.6-21.8173-24.535.1000114.7G35 P81 Y82 L85P33-G35 VanDerWaalsContact C-N 3.32Å; P33-P81 HydrophobicContact CB-CB 4.35Å; P33-P81 WeakPolarHBondContact CB-O 3.39Å; P33-Y82 HydrophobicContact CB-CD1 3.8Å; P33-Y82 HydrophobicContact CB-CD2 4.06Å; P33-Y82 HydrophobicContact CB-CE1 3.78Å; P33-Y82 HydrophobicContact CB-CE2 4Å; P33-Y82 HydrophobicContact CB-CG 3.94Å; P33-Y82 HydrophobicContact CG-CE1 4.02Å; P33-Y82 HydrophobicContact CG-CE2 4.03Å; P33-L85 WeakPolarHBondContact O-CB 3.48Å
34E92.6Very high90.2Very high82 Ų8248.9 Ų48.938%0.38326%0.255SS..THydrogen-bonded Turntrans-89.96.2176.3-54.474.9-164.400112.7S32 I36 H59S32-E34 WeakPolarHBondContact CB-OE2 3.41Å; S32-E34 PolarHBondContact O-N 3.26Å; S32-E34 VanDerWaalsContact O-N 3.13Å; S32-E34 PolarHBondContact OG-N 3.18Å; S32-E34 PolarHBondContact OG-OE2 3.49Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 HydrophobicContact CB-CD1 4.39Å; E34-I36 HydrophobicContact CB-CG1 4.46Å; E34-I36 PolarHBondContact O-N 3.34Å; E34-H59 PolarHBondContact O-CE1 3.09Å; E34-H59 PolarHBondContact O-ND1 3.13Å
35G92.8Very high89.3Confident0 Ų050.8 Ų50.80%027%0.27CS..SBendtrans81.67.117900000114.6I31 S32 P33 H59 Y60I31-G35 VanDerWaalsContact CG2-C 3.43Å; S32-G35 PolarHBondContact O-N 3.07Å; P33-G35 VanDerWaalsContact C-N 3.32Å; G35-H59 CarbonylContact O-C 3.59Å; G35-H59 WeakPolarHBondContact O-CA 3.45Å; G35-Y60 WeakPolarHBondContact CA-O 3.45Å; G35-Y60 PolarHBondContact O-N 3.06Å
36I93.3Very high88.8Confident77 Ų7751.6 Ų51.640%0.39527%0.274SS..BIsolated β-bridgetrans-89.7135.3-177.5-57.1171000109.8I31 S32 E34 E38 E58I31-I36 CarbonylContact C-O 3.48Å; I31-I36 WeakPolarHBondContact CA-O 3.2Å; S32-I36 PolarHBondContact N-O 3.26Å; S32-I36 PolarHBondContact OG-N 3.1Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 HydrophobicContact CB-CD1 4.39Å; E34-I36 HydrophobicContact CB-CG1 4.46Å; E34-I36 PolarHBondContact O-N 3.34Å; I36-E38 PolarHBondContact O-N 3.03Å; I36-E58 WeakPolarHBondContact CA-O 3.28Å
37V91.1Very high88.4Confident19 Ų1956.1 Ų56.112%0.11529%0.292CS..BIsolated β-bridgetrans-66.8128.31741800000110.3A41 T42 E58 Y60V37-A41 HydrophobicContact CG1-CB 4.07Å; V37-T42 HydrophobicContact CG1-CG2 4.28Å; V37-E58 PolarHBondContact N-O 3.33Å; V37-Y60 HydrophobicContact CG2-CD2 3.39Å; V37-Y60 HydrophobicContact CG2-CE2 3.23Å
38E90.9Very high88.2Confident77 Ų7755.1 Ų55.136%0.3628%0.28SS..PPolyproline II helixtrans-68.4144.9174.6-64.1-73.9179.400110.8G30 I36 F40 A41G30-E38 WeakPolarHBondContact O-CB 3.47Å; G30-E38 WeakPolarHBondContact O-CG 3.38Å; G30-E38 PolarHBondContact O-N 3Å; I36-E38 PolarHBondContact O-N 3.03Å; E38-F40 HydrophobicContact CB-CD1 3.83Å; E38-F40 HydrophobicContact CB-CD2 4.43Å; E38-F40 HydrophobicContact CB-CE1 3.41Å; E38-F40 VanDerWaalsContact CB-CE1 3.41Å; E38-F40 HydrophobicContact CB-CE2 4.05Å; E38-F40 HydrophobicContact CB-CG 4.33Å; E38-F40 HydrophobicContact CB-CZ 3.52Å; E38-F40 HydrophobicContact CG-CE1 3.79Å; E38-F40 HydrophobicContact CG-CZ 3.74Å; E38-F40 PolarHBondContact O-N 2.75Å; E38-A41 HydrophobicContact CB-CB 4.39Å; E38-A41 WeakPolarHBondContact O-CA 3.33Å; E38-A41 WeakPolarHBondContact O-CB 3.48Å; E38-A41 PolarHBondContact O-N 2.79Å
39E87.4Confident88Confident177 Ų17756.6 Ų56.683%0.82729%0.288SS*.G310 helixtrans-53.2-37.3-175.9-66-176.9171.900112.8A41 T42E39-A41 PolarHBondContact O-N 3.2Å; E39-T42 PolarHBondContact O-OG1 3.28Å
40F86.9Confident87.9Confident132 Ų13257 Ų5758%0.57929%0.29SS*.G310 helixtrans-73.4-8.6179.764-104.3000114.4E38 Y373E38-F40 HydrophobicContact CB-CD1 3.83Å; E38-F40 HydrophobicContact CB-CD2 4.43Å; E38-F40 HydrophobicContact CB-CE1 3.41Å; E38-F40 VanDerWaalsContact CB-CE1 3.41Å; E38-F40 HydrophobicContact CB-CE2 4.05Å; E38-F40 HydrophobicContact CB-CG 4.33Å; E38-F40 HydrophobicContact CB-CZ 3.52Å; E38-F40 HydrophobicContact CG-CE1 3.79Å; E38-F40 HydrophobicContact CG-CZ 3.74Å; E38-F40 PolarHBondContact O-N 2.75Å; F40-Y373 AromaticContact CD2-CD1 3.51Å; F40-Y373 HydrophobicContact CD2-CD1 3.51Å; F40-Y373 AromaticContact CD2-CE1 3.93Å; F40-Y373 HydrophobicContact CD2-CE1 3.93Å; F40-Y373 HydrophobicContact CD2-CG 4.18Å; F40-Y373 AromaticContact CE2-CD1 3.59Å; F40-Y373 HydrophobicContact CE2-CD1 3.59Å; F40-Y373 HydrophobicContact CE2-CE1 4.28Å; F40-Y373 AromaticContact CE2-CG 3.76Å; F40-Y373 HydrophobicContact CE2-CG 3.76Å
41A85.3Confident87.8Confident0 Ų056.9 Ų56.90%029%0.289CS..G310 helixtrans-111.84.1-172.800000114.3G30 V37 E38 E39 G44 Y373G30-A41 WeakPolarHBondContact O-CB 3.41Å; V37-A41 HydrophobicContact CG1-CB 4.07Å; E38-A41 HydrophobicContact CB-CB 4.39Å; E38-A41 WeakPolarHBondContact O-CA 3.33Å; E38-A41 WeakPolarHBondContact O-CB 3.48Å; E38-A41 PolarHBondContact O-N 2.79Å; E39-A41 PolarHBondContact O-N 3.2Å; A41-G44 PolarHBondContact O-N 3.4Å; A41-Y373 WeakPolarHBondContact CA-OH 3.36Å; A41-Y373 HydrophobicContact CB-CD1 4.45Å; A41-Y373 HydrophobicContact CB-CD2 4.49Å; A41-Y373 HydrophobicContact CB-CE1 3.82Å; A41-Y373 HydrophobicContact CB-CE2 3.89Å; A41-Y373 PolarHBondContact O-OH 2.97Å
42T80.2Confident87.8Confident94 Ų9456.6 Ų56.658%0.57729%0.288SS*.THydrogen-bonded Turntrans-63.5-37.3-180470000113.2V37 E39V37-T42 HydrophobicContact CG1-CG2 4.28Å; E39-T42 PolarHBondContact O-OG1 3.28Å
43E77.8Confident87.5Confident183 Ų18360.7 Ų60.786%0.85530%0.302SS*.THydrogen-bonded Turntrans-96.222.2-178.6-60.9-174.5168.600113.9
44G74.6Confident87Confident27 Ų2762.9 Ų62.928%0.27831%0.31SS..  trans-63.6143.5-176.300000114.7A41 D46 Y373A41-G44 PolarHBondContact O-N 3.4Å; G44-D46 VanDerWaalsContact C-N 3.26Å; G44-D46 WeakPolarHBondContact CA-OD1 3.49Å; G44-D46 PolarHBondContact O-N 2.92Å; G44-Y373 VanDerWaalsContact CA-OH 3.27Å; G44-Y373 WeakPolarHBondContact CA-OH 3.28Å
45T76.2Confident86.5Confident92 Ų9261.2 Ų61.256%0.56431%0.31SS*.  trans-85.53.9173.961.80000114.1P253T45-P253 VanDerWaalsContact O-CD 3.27Å; T45-P253 WeakPolarHBondContact O-CD 3.4Å; T45-P253 WeakPolarHBondContact O-CG 3.42Å
46D85.1Confident85.8Confident16 Ų1665.6 Ų65.69%0.08633%0.334CS..SBendtrans-80.9149.7-178.358.6-70.7000112.6H29 G44 K48 Y252H29-D46 IonicContact CE1-OD2 3.61Å; H29-D46 IonicContact CG-OD2 3.66Å; H29-D46 IonicContact ND1-OD2 2.68Å; H29-D46 PolarHBondContact ND1-OD2 3Å; G44-D46 VanDerWaalsContact C-N 3.26Å; G44-D46 WeakPolarHBondContact CA-OD1 3.49Å; G44-D46 PolarHBondContact O-N 2.92Å; D46-K48 IonicContact OD1-NZ 2.77Å; D46-K48 PolarHBondContact OD1-NZ 3.13Å; D46-K48 WeakPolarHBondContact OD2-CE 3.47Å; D46-K48 WeakPolarHBondContact OD2-CG 3.21Å; D46-K48 IonicContact OD2-NZ 3.08Å; D46-K48 PolarHBondContact OD2-NZ 2.8Å; D46-Y252 HydrophobicContact CB-CD1 3.9Å; D46-Y252 HydrophobicContact CB-CE1 3.52Å
47R86.9Confident84.9Confident96 Ų9669 Ų6936%0.36235%0.353SS..  trans-97.393175.9-68.5-176.3-170.2168.72.8109.4D49 V50 R251R47-D49 WeakPolarHBondContact CB-OD1 3.17Å; R47-V50 HydrophobicContact CB-CG2 4.25Å; R47-R251 WeakPolarHBondContact CB-O 3.44Å; R47-R251 PolarHBondContact N-O 2.87Å
48K89.3Confident84.4Confident18 Ų1873.7 Ų73.78%0.07837%0.373CS..  trans-72-33177.5-60.5178.1174.866.10111.7H29 I31 D46 V50 F51 F52 Y60H29-K48 HydrophobicContact CB-CG 4.33Å; H29-K48 VanDerWaalsContact O-CE 3.28Å; H29-K48 WeakPolarHBondContact O-CE 3.4Å; I31-K48 HydrophobicContact CD1-CD 4.31Å; D46-K48 IonicContact OD1-NZ 2.77Å; D46-K48 PolarHBondContact OD1-NZ 3.13Å; D46-K48 WeakPolarHBondContact OD2-CE 3.47Å; D46-K48 WeakPolarHBondContact OD2-CG 3.21Å; D46-K48 IonicContact OD2-NZ 3.08Å; D46-K48 PolarHBondContact OD2-NZ 2.8Å; K48-V50 PolarHBondContact O-N 3.06Å; K48-V50 VanDerWaalsContact O-N 3.09Å; K48-F51 PolarHBondContact O-N 2.99Å; K48-F52 WeakPolarHBondContact O-CB 3.27Å; K48-F52 WeakPolarHBondContact O-CD2 3.41Å; K48-F52 PolarHBondContact O-N 2.97Å; K48-Y60 HydrophobicContact CB-CD1 3.9Å; K48-Y60 HydrophobicContact CB-CE1 3.5Å; K48-Y60 VanDerWaalsContact CB-CE1 3.5Å; K48-Y60 HydrophobicContact CD-CD1 4.23Å; K48-Y60 HydrophobicContact CD-CD2 4.46Å; K48-Y60 HydrophobicContact CD-CE1 3.74Å; K48-Y60 HydrophobicContact CD-CE2 4.04Å; K48-Y60 HydrophobicContact CG-CE1 4.25Å
49D87.8Confident84.4Confident46 Ų4672.3 Ų72.325%0.24637%0.367CS..THydrogen-bonded Turntrans-58.7-20.5-17561.5-28.5000116P2 R47 F52P2-D49 WeakPolarHBondContact CB-OD2 3.46Å; P2-D49 VanDerWaalsContact CG-OD2 3.27Å; P2-D49 WeakPolarHBondContact CG-OD2 3.31Å; R47-D49 WeakPolarHBondContact CB-OD1 3.17Å; D49-F52 CarbonylContact C-O 3.57Å; D49-F52 WeakPolarHBondContact CA-O 3.39Å
50V88.9Confident84.7Confident8 Ų865.5 Ų65.55%0.04833%0.334CS..THydrogen-bonded Turntrans-65.4-44.9178175.30000111.7R3 E4 I5 R47 K48 L250R3-V50 WeakPolarHBondContact O-CG1 3.34Å; E4-V50 WeakPolarHBondContact CA-O 3.48Å; I5-V50 HydrophobicContact CD1-CG1 4.17Å; I5-V50 HydrophobicContact CG1-CG1 4.4Å; I5-V50 PolarHBondContact N-O 3.09Å; R47-V50 HydrophobicContact CB-CG2 4.25Å; K48-V50 PolarHBondContact O-N 3.06Å; K48-V50 VanDerWaalsContact O-N 3.09Å; V50-L250 HydrophobicContact CG1-CB 4.17Å
51F92.8Very high85.1Confident2 Ų260.6 Ų60.61%0.00931%0.313CS..THydrogen-bonded Turntrans-112.6-22.5-174.3-79.2-77.8000112.7I5 F21 W22 L25 K48 R63 T247 R251I5-F51 HydrophobicContact CB-CE1 4.22Å; I5-F51 HydrophobicContact CD1-CZ 4.13Å; I5-F51 HydrophobicContact CG2-CE1 4.08Å; F21-F51 HydrophobicContact CE1-CD1 4.42Å; F21-F51 HydrophobicContact CE1-CE1 4.37Å; F21-F51 HydrophobicContact CZ-CD1 4.43Å; F21-F51 HydrophobicContact CZ-CE1 4.14Å; F21-F51 HydrophobicContact CZ-CZ 4.41Å; W22-F51 HydrophobicContact CH2-CB 3.73Å; W22-F51 AromaticContact CH2-CD1 3.92Å; W22-F51 HydrophobicContact CH2-CD1 3.92Å; W22-F51 HydrophobicContact CH2-CG 4.28Å; W22-F51 VanDerWaalsContact CH2-O 3.22Å; W22-F51 WeakPolarHBondContact CH2-O 3.43Å; W22-F51 HydrophobicContact CZ3-CB 3.76Å; L25-F51 HydrophobicContact CD1-CB 4.13Å; L25-F51 HydrophobicContact CD1-CD2 4.41Å; L25-F51 HydrophobicContact CD1-CG 4.11Å; K48-F51 PolarHBondContact O-N 2.99Å; F51-R63 WeakPolarHBondContact O-CB 3.47Å; F51-R63 WeakPolarHBondContact O-CG 3.35Å; F51-R63 PolarHBondContact O-N 2.88Å; F51-T247 HydrophobicContact CE2-CG2 4.14Å; F51-T247 HydrophobicContact CZ-CG2 3.63Å; F51-R251 HydrophobicContact CD2-CG 3.65Å; F51-R251 HydrophobicContact CE2-CG 3.81Å
52F92.7Very high85.6Confident1 Ų160.7 Ų60.70%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-108143.6178.3-61.6-90.6000110.9W22 L25 I31 K48 D49 Y60 I61 P62 R63W22-F52 AromaticContact CE3-CE1 3.94Å; W22-F52 HydrophobicContact CE3-CE1 3.94Å; W22-F52 HydrophobicContact CE3-CE2 4.5Å; W22-F52 AromaticContact CE3-CZ 3.83Å; W22-F52 HydrophobicContact CE3-CZ 3.83Å; W22-F52 HydrophobicContact CZ3-CD1 4.32Å; W22-F52 HydrophobicContact CZ3-CD2 4.5Å; W22-F52 AromaticContact CZ3-CE1 3.97Å; W22-F52 HydrophobicContact CZ3-CE1 3.97Å; W22-F52 HydrophobicContact CZ3-CE2 4.16Å; W22-F52 AromaticContact CZ3-CZ 3.88Å; W22-F52 HydrophobicContact CZ3-CZ 3.88Å; L25-F52 HydrophobicContact CB-CE2 4.09Å; L25-F52 HydrophobicContact CB-CZ 3.96Å; L25-F52 HydrophobicContact CD1-CE2 4.35Å; I31-F52 HydrophobicContact CD1-CD1 4.29Å; I31-F52 HydrophobicContact CD1-CD2 4.18Å; I31-F52 HydrophobicContact CD1-CE1 4.08Å; I31-F52 HydrophobicContact CD1-CE2 3.97Å; I31-F52 HydrophobicContact CD1-CG 4.35Å; I31-F52 HydrophobicContact CD1-CZ 3.92Å; K48-F52 WeakPolarHBondContact O-CB 3.27Å; K48-F52 WeakPolarHBondContact O-CD2 3.41Å; K48-F52 PolarHBondContact O-N 2.97Å; D49-F52 CarbonylContact C-O 3.57Å; D49-F52 WeakPolarHBondContact CA-O 3.39Å; F52-Y60 HydrophobicContact CB-CD1 3.68Å; F52-Y60 HydrophobicContact CB-CG 4.34Å; F52-Y60 HydrophobicContact CG-CD1 4.43Å; F52-I61 CarbonylContact C-O 3.49Å; F52-I61 VanDerWaalsContact CA-O 3.3Å; F52-I61 WeakPolarHBondContact CA-O 3.4Å; F52-P62 HydrophobicContact CD1-CG 4.25Å; F52-P62 HydrophobicContact CE1-CG 4.01Å; F52-R63 PolarHBondContact O-NE 3.11Å
53Y88.8Confident86.3Confident96 Ų9656.4 Ų56.438%0.37629%0.287SS..EExtended strand (participates in β ladder)trans-90.6134.2161.9172.5-101.3000108.3A55 Y60 I61Y53-A55 HydrophobicContact CD1-CB 4.35Å; Y53-A55 HydrophobicContact CE1-CB 4.01Å; Y53-Y60 WeakPolarHBondContact O-CA 3.44Å; Y53-I61 HydrophobicContact CD1-CD1 4.5Å; Y53-I61 PolarHBondContact N-O 3.03Å; Y53-I61 PolarHBondContact O-N 3.03Å
54Q86.5Confident87.2Confident77 Ų7747.8 Ų47.836%0.3625%0.247SC..EExtended strand (participates in β ladder)trans-93.8111.6176.5-177175.615.200108.3D56 D57 Y60Q54-D56 WeakPolarHBondContact CG-O 3.39Å; Q54-D56 PolarHBondContact NE2-O 3Å; Q54-D56 VanDerWaalsContact NE2-O 3.12Å; Q54-D57 PolarHBondContact NE2-O 3.43Å; Q54-D57 VanDerWaalsContact NE2-O 3.17Å; Q54-Y60 HydrophobicContact CB-CD1 4.36Å; Q54-Y60 HydrophobicContact CB-CE1 4.07Å; Q54-Y60 HydrophobicContact CG-CE1 4.31Å
55A82Confident88.3Confident48 Ų4846.5 Ų46.540%0.39723%0.234SC..SBendtrans-81.5-39.2-177.600000112.2Y53 H59 I61Y53-A55 HydrophobicContact CD1-CB 4.35Å; Y53-A55 HydrophobicContact CE1-CB 4.01Å; A55-H59 PolarHBondContact N-O 3Å; A55-I61 HydrophobicContact CB-CD1 3.73Å; A55-I61 HydrophobicContact CB-CG1 4.24Å
56D78.4Confident89.3Confident92 Ų9242.1 Ų42.149%0.49221%0.207SC..SBendtrans-145.8-172.1172.359.831000109.5Q54 E58 H59Q54-D56 WeakPolarHBondContact CG-O 3.39Å; Q54-D56 PolarHBondContact NE2-O 3Å; Q54-D56 VanDerWaalsContact NE2-O 3.12Å; D56-E58 PolarHBondContact O-N 3.17Å; D56-E58 PolarHBondContact OD1-N 3.18Å; D56-H59 WeakPolarHBondContact OD1-CA 3.34Å; D56-H59 WeakPolarHBondContact OD1-CB 3.29Å; D56-H59 PolarHBondContact OD1-N 2.77Å
57D73.7Confident89.7Confident149 Ų14941.3 Ų41.380%0.79720%0.203SC*.SBendtrans-58.9-24.7-171.7-71-26.3000113.8Q54Q54-D57 PolarHBondContact NE2-O 3.43Å; Q54-D57 VanDerWaalsContact NE2-O 3.17Å
58E81.5Confident90Very high117 Ų11736.9 Ų36.955%0.54719%0.186SC..SBendtrans-126.4-9.4-174.6-63.7-174.9169.600114.6I36 V37 D56I36-E58 WeakPolarHBondContact CA-O 3.28Å; V37-E58 PolarHBondContact N-O 3.33Å; D56-E58 PolarHBondContact O-N 3.17Å; D56-E58 PolarHBondContact OD1-N 3.18Å
59H90.3Very high89.9Confident48 Ų4836 Ų3622%0.22218%0.182CC..BIsolated β-bridgetrans-103.5120.1-175.2-163.177.8000112.9E34 G35 A55 D56E34-H59 PolarHBondContact O-CE1 3.09Å; E34-H59 PolarHBondContact O-ND1 3.13Å; G35-H59 CarbonylContact O-C 3.59Å; G35-H59 WeakPolarHBondContact O-CA 3.45Å; A55-H59 PolarHBondContact N-O 3Å; D56-H59 WeakPolarHBondContact OD1-CA 3.34Å; D56-H59 WeakPolarHBondContact OD1-CB 3.29Å; D56-H59 PolarHBondContact OD1-N 2.77Å
60Y92.9Very high89.9Confident33 Ų3337.2 Ų37.213%0.12919%0.186CC..EExtended strand (participates in β ladder)trans-114.1122.5-179-75-94.4000111.2I31 G35 V37 K48 F52 Y53 Q54I31-Y60 HydrophobicContact CD1-CG 4.24Å; G35-Y60 WeakPolarHBondContact CA-O 3.45Å; G35-Y60 PolarHBondContact O-N 3.06Å; V37-Y60 HydrophobicContact CG2-CD2 3.39Å; V37-Y60 HydrophobicContact CG2-CE2 3.23Å; K48-Y60 HydrophobicContact CB-CD1 3.9Å; K48-Y60 HydrophobicContact CB-CE1 3.5Å; K48-Y60 VanDerWaalsContact CB-CE1 3.5Å; K48-Y60 HydrophobicContact CD-CD1 4.23Å; K48-Y60 HydrophobicContact CD-CD2 4.46Å; K48-Y60 HydrophobicContact CD-CE1 3.74Å; K48-Y60 HydrophobicContact CD-CE2 4.04Å; K48-Y60 HydrophobicContact CG-CE1 4.25Å; F52-Y60 HydrophobicContact CB-CD1 3.68Å; F52-Y60 HydrophobicContact CB-CG 4.34Å; F52-Y60 HydrophobicContact CG-CD1 4.43Å; Y53-Y60 WeakPolarHBondContact O-CA 3.44Å; Q54-Y60 HydrophobicContact CB-CD1 4.36Å; Q54-Y60 HydrophobicContact CB-CE1 4.07Å; Q54-Y60 HydrophobicContact CG-CE1 4.31Å
61I94.7Very high89.9Confident30 Ų3039.2 Ų39.215%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-109.7130.2-178.5-56179.5000108.8F52 Y53 A55 R63 N87F52-I61 CarbonylContact C-O 3.49Å; F52-I61 VanDerWaalsContact CA-O 3.3Å; F52-I61 WeakPolarHBondContact CA-O 3.4Å; Y53-I61 HydrophobicContact CD1-CD1 4.5Å; Y53-I61 PolarHBondContact N-O 3.03Å; Y53-I61 PolarHBondContact O-N 3.03Å; A55-I61 HydrophobicContact CB-CD1 3.73Å; A55-I61 HydrophobicContact CB-CG1 4.24Å; I61-R63 PolarHBondContact O-N 3.49Å; I61-N87 HydrophobicContact CG2-CB 3.89Å
62P96.2Very high89.8Confident2 Ų246.4 Ų46.41%0.01323%0.227CC..EExtended strand (participates in β ladder)trans-59.1136.3173.9-25.936.6000112.6W22 F52 A64 L85 Y86W22-P62 HydrophobicContact CD2-CB 3.75Å; W22-P62 HydrophobicContact CD2-CG 4.13Å; W22-P62 HydrophobicContact CE3-CB 3.68Å; W22-P62 HydrophobicContact CE3-CG 3.95Å; W22-P62 HydrophobicContact CG-CB 4.46Å; W22-P62 HydrophobicContact CH2-CB 3.81Å; W22-P62 HydrophobicContact CZ2-CB 3.89Å; W22-P62 HydrophobicContact CZ3-CB 3.69Å; W22-P62 HydrophobicContact CZ3-CG 4.32Å; F52-P62 HydrophobicContact CD1-CG 4.25Å; F52-P62 HydrophobicContact CE1-CG 4.01Å; P62-A64 HydrophobicContact CB-CB 3.86Å; P62-A64 PolarHBondContact O-N 3.5Å; P62-L85 WeakPolarHBondContact CD-O 3.37Å; P62-L85 HydrophobicContact CG-CD1 4.11Å; P62-L85 HydrophobicContact CG-CD2 3.75Å; P62-L85 HydrophobicContact CG-CG 3.57Å; P62-Y86 HydrophobicContact CB-CD1 4.46Å; P62-Y86 HydrophobicContact CG-CD1 4.34Å; P62-Y86 HydrophobicContact CG-CE1 4.43Å
63R95.4Very high89.7Confident4 Ų446.8 Ų46.82%0.01523%0.229CC..  trans-77.264.1165.5-62175.4-171.3-92.76109.4E4 T7 F51 F52 I61 S130E4-R63 IonicContact OE1-CZ 2.75Å; E4-R63 VanDerWaalsContact OE1-CZ 3.25Å; E4-R63 IonicContact OE1-NH1 3.27Å; E4-R63 PolarHBondContact OE1-NH1 2.81Å; E4-R63 IonicContact OE1-NH2 2.77Å; E4-R63 PolarHBondContact OE1-NH2 2.95Å; T7-R63 PolarHBondContact N-O 3.33Å; F51-R63 WeakPolarHBondContact O-CB 3.47Å; F51-R63 WeakPolarHBondContact O-CG 3.35Å; F51-R63 PolarHBondContact O-N 2.88Å; F52-R63 PolarHBondContact O-NE 3.11Å; I61-R63 PolarHBondContact O-N 3.49Å; R63-S130 PolarHBondContact NH1-OG 2.95Å
64A96.7Very high89.9Confident1 Ų142.3 Ų42.31%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-124.8132.2-173.200000110.4T7 W22 P62 L66 Y86 N90T7-A64 CarbonylContact O-C 3.35Å; T7-A64 VanDerWaalsContact O-CA 3.3Å; T7-A64 WeakPolarHBondContact O-CA 3.49Å; W22-A64 HydrophobicContact CZ2-CB 3.73Å; P62-A64 HydrophobicContact CB-CB 3.86Å; P62-A64 PolarHBondContact O-N 3.5Å; A64-L66 HydrophobicContact CB-CD1 4.05Å; A64-Y86 HydrophobicContact CB-CD1 4.28Å; A64-Y86 HydrophobicContact CB-CE1 4.31Å; A64-N90 WeakPolarHBondContact O-CB 3.49Å
65V97.6Very high90.3Very high0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-111.6121172.5-177.80000108.1I6 T7 L8 Q9 L67 N90 I122 E126I6-V65 HydrophobicContact CG2-CG2 4.14Å; T7-V65 PolarHBondContact O-N 2.89Å; L8-V65 HydrophobicContact CD2-CB 3.72Å; L8-V65 HydrophobicContact CD2-CG1 4.4Å; L8-V65 HydrophobicContact CD2-CG2 3.92Å; Q9-V65 PolarHBondContact N-O 3.06Å; V65-L67 HydrophobicContact CG1-CD1 4.26Å; V65-L67 HydrophobicContact CG1-CD2 3.62Å; V65-L67 HydrophobicContact CG1-CG 3.87Å; V65-N90 WeakPolarHBondContact CA-O 3.5Å; V65-I122 HydrophobicContact CB-CG2 4.48Å; V65-I122 HydrophobicContact CG1-CG2 3.77Å; V65-I122 HydrophobicContact CG2-CG2 3.91Å; V65-E126 HydrophobicContact CG2-CG 4.43Å
66L97.4Very high90.9Very high0 Ų044.6 Ų44.60%022%0.223CC..EExtended strand (participates in β ladder)trans-104.7116.2-177.8-7672.2000108.5Q9 A64 I77 Y86 N90 I91 Y92Q9-L66 HydrophobicContact CB-CG 4.44Å; A64-L66 HydrophobicContact CB-CD1 4.05Å; L66-I77 HydrophobicContact CD2-CD1 3.84Å; L66-I77 HydrophobicContact CD2-CG2 4.49Å; L66-Y86 HydrophobicContact CD1-CD1 3.66Å; L66-Y86 HydrophobicContact CD1-CE1 3.92Å; L66-Y86 HydrophobicContact CD1-CG 4.46Å; L66-Y86 HydrophobicContact CD2-CD1 4.47Å; L66-Y86 HydrophobicContact CD2-CE1 4.48Å; L66-N90 PolarHBondContact N-O 3.4Å; L66-I91 HydrophobicContact CB-CG1 4.29Å; L66-I91 HydrophobicContact CB-CG2 4.43Å; L66-Y92 PolarHBondContact O-N 2.9Å
67L94.1Very high91.6Very high0 Ų040.5 Ų40.50%020%0.201CC..EExtended strand (participates in β ladder)trans-123120.4-178.3-49.8171.8000109Q9 L10 G11 N15 V65 Y92 I119 L160Q9-L67 PolarHBondContact O-N 3.44Å; L10-L67 HydrophobicContact CD2-CB 3.64Å; L10-L67 HydrophobicContact CD2-CD1 3.42Å; L10-L67 VanDerWaalsContact CD2-CD1 3.42Å; L10-L67 HydrophobicContact CD2-CG 3.95Å; G11-L67 PolarHBondContact N-O 3.4Å; N15-L67 PolarHBondContact ND2-O 3.38Å; V65-L67 HydrophobicContact CG1-CD1 4.26Å; V65-L67 HydrophobicContact CG1-CD2 3.62Å; V65-L67 HydrophobicContact CG1-CG 3.87Å; L67-Y92 HydrophobicContact CD2-CG 4.25Å; L67-I119 HydrophobicContact CD1-CD1 4.08Å; L67-I119 HydrophobicContact CD1-CG1 4.38Å; L67-I119 HydrophobicContact CD1-CG2 3.78Å; L67-I119 HydrophobicContact CD2-CD1 4.4Å; L67-I119 HydrophobicContact CD2-CG1 4.07Å; L67-I119 HydrophobicContact CD2-CG2 4.4Å; L67-L160 HydrophobicContact CD1-CD1 3.72Å
68D91.9Very high92.6Very high2 Ų237.1 Ų37.11%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-141.4146.7170.2-144.9-31.3000111.5G11 Q12 N15 E70 I74 Y92 S94G11-D68 WeakPolarHBondContact CA-OD2 3.46Å; Q12-D68 PolarHBondContact N-OD2 3.4Å; Q12-D68 VanDerWaalsContact N-OD2 3.13Å; N15-D68 PolarHBondContact ND2-OD2 3.11Å; D68-E70 VanDerWaalsContact C-N 3.31Å; D68-E70 PolarHBondContact OD1-N 2.68Å; D68-I74 HydrophobicContact CB-CD1 3.55Å; D68-I74 HydrophobicContact CB-CG1 4.07Å; D68-Y92 PolarHBondContact N-O 3.31Å; D68-S94 PolarHBondContact O-N 2.71Å
69L88.1Confident93.2Very high0 Ų038.2 Ų38.20%019%0.193CC..SBendtrans-89.9-7173.1-59.7173.2000111.1A100 Q111 I115 T152L69-A100 HydrophobicContact CD1-CB 3.88Å; L69-Q111 HydrophobicContact CD1-CB 3.84Å; L69-Q111 HydrophobicContact CD1-CG 3.85Å; L69-Q111 HydrophobicContact CD2-CB 3.98Å; L69-Q111 HydrophobicContact CD2-CG 4.27Å; L69-I115 HydrophobicContact CD2-CD1 3.8Å; L69-T152 HydrophobicContact CB-CG2 4.38Å; L69-T152 HydrophobicContact CD1-CG2 3.92Å; L69-T152 HydrophobicContact CG-CG2 3.8Å
70E87.7Confident93.5Very high71 Ų7137 Ų3733%0.33219%0.189SC..SBendtrans-123.4133.2177.8-65.4179.3-173.700111.2D68 R72D68-E70 VanDerWaalsContact C-N 3.31Å; D68-E70 PolarHBondContact OD1-N 2.68Å; E70-R72 VanDerWaalsContact C-N 3.3Å; E70-R72 PolarHBondContact O-N 3.39Å
71P88.5Confident93.6Very high51 Ų5140 Ų4033%0.33121%0.213SC..Hα-helixtrans-71.6-22.1-173.826.5-35000114.3V73 I74 H75 L93P71-V73 VanDerWaalsContact C-N 3.35Å; P71-V73 PolarHBondContact O-N 3.02Å; P71-I74 PolarHBondContact O-N 3.4Å; P71-H75 VanDerWaalsContact O-CB 3.29Å; P71-H75 WeakPolarHBondContact O-CB 3.34Å; P71-H75 VanDerWaalsContact O-CG 3.24Å; P71-H75 PolarHBondContact O-N 2.82Å; P71-L93 VanDerWaalsContact CA-CD1 3.42Å; P71-L93 HydrophobicContact CB-CD1 3.95Å; P71-L93 HydrophobicContact CB-CD2 3.86Å; P71-L93 HydrophobicContact CB-CG 4.48Å
72R90.6Very high93.7Very high152 Ų15240.4 Ų40.457%0.57421%0.213SC*.Hα-helixtrans-55-46.5-164.6-176.317767.9138.9-2.3113.3E70 S76E70-R72 VanDerWaalsContact C-N 3.3Å; E70-R72 PolarHBondContact O-N 3.39Å; R72-S76 PolarHBondContact O-N 2.93Å
73V91.8Very high93.5Very high10 Ų1041.2 Ų41.26%0.06122%0.22CC..Hα-helixtrans-78.3-44-174.1178.90000111Q12 N15 Q16 P71 H75 S76 I77Q12-V73 HydrophobicContact CB-CG2 3.88Å; Q12-V73 HydrophobicContact CG-CG2 3.77Å; N15-V73 HydrophobicContact CB-CG1 3.64Å; Q16-V73 HydrophobicContact CG-CG1 3.81Å; P71-V73 VanDerWaalsContact C-N 3.35Å; P71-V73 PolarHBondContact O-N 3.02Å; V73-H75 VanDerWaalsContact C-N 3.35Å; V73-H75 PolarHBondContact O-N 3.17Å; V73-S76 WeakPolarHBondContact O-CB 3.38Å; V73-S76 PolarHBondContact O-N 3.17Å; V73-S76 VanDerWaalsContact O-N 3.08Å; V73-I77 HydrophobicContact CG1-CD1 4.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 3.05Å; V73-I77 VanDerWaalsContact O-N 3.07Å
74I92.8Very high93.4Very high2 Ų246.8 Ų46.81%0.0125%0.25CC..Hα-helixtrans-60.5-45.2176.1-68.6176.8000110.4D68 P71 S76 I77 L78 I91 Y92 L93D68-I74 HydrophobicContact CB-CD1 3.55Å; D68-I74 HydrophobicContact CB-CG1 4.07Å; P71-I74 PolarHBondContact O-N 3.4Å; I74-S76 VanDerWaalsContact C-N 3.26Å; I74-S76 PolarHBondContact O-N 3.26Å; I74-I77 WeakPolarHBondContact O-CB 3.45Å; I74-I77 PolarHBondContact O-N 3.08Å; I74-L78 HydrophobicContact CG2-CD1 3.87Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CG 3.44Å; I74-L78 PolarHBondContact O-N 3.44Å; I74-I91 HydrophobicContact CD1-CG2 4.06Å; I74-I91 HydrophobicContact CG2-CG2 3.58Å; I74-Y92 WeakPolarHBondContact CD1-O 3.48Å; I74-L93 HydrophobicContact CD1-CB 4.4Å; I74-L93 HydrophobicContact CD1-CD1 4.29Å
75H93.8Very high93.4Very high90 Ų9046.7 Ų46.742%0.41725%0.249SC..Hα-helixtrans-60-35.7174.5-72.4-174.4000112.4P71 V73 I77 L78 N79P71-H75 VanDerWaalsContact O-CB 3.29Å; P71-H75 WeakPolarHBondContact O-CB 3.34Å; P71-H75 VanDerWaalsContact O-CG 3.24Å; P71-H75 PolarHBondContact O-N 2.82Å; V73-H75 VanDerWaalsContact C-N 3.35Å; V73-H75 PolarHBondContact O-N 3.17Å; H75-I77 VanDerWaalsContact C-N 3.31Å; H75-I77 PolarHBondContact O-N 3.35Å; H75-L78 PolarHBondContact O-N 3.09Å; H75-N79 WeakPolarHBondContact O-CB 3.24Å; H75-N79 PolarHBondContact O-N 3.37Å; H75-N79 PolarHBondContact O-ND2 3.49Å
76S94.2Very high93.2Very high83 Ų8347.1 Ų47.158%0.5825%0.251SS*.Hα-helixtrans-65.4-35.3174.4-170.90000112.3R72 V73 I74 S80R72-S76 PolarHBondContact O-N 2.93Å; V73-S76 WeakPolarHBondContact O-CB 3.38Å; V73-S76 PolarHBondContact O-N 3.17Å; V73-S76 VanDerWaalsContact O-N 3.08Å; I74-S76 VanDerWaalsContact C-N 3.26Å; I74-S76 PolarHBondContact O-N 3.26Å; S76-S80 PolarHBondContact O-N 3.48Å
77I94.3Very high93.1Very high6 Ų648.9 Ų48.93%0.03126%0.26CS..Hα-helixtrans-70.6-45.7176.7-65.7170.4000110.1N15 F19 L66 V73 I74 H75 N79 S80 Y86N15-I77 HydrophobicContact CB-CD1 4.31Å; F19-I77 HydrophobicContact CB-CD1 4.22Å; F19-I77 HydrophobicContact CB-CG1 4.39Å; F19-I77 HydrophobicContact CD2-CB 4.33Å; F19-I77 HydrophobicContact CD2-CD1 4.27Å; F19-I77 HydrophobicContact CD2-CG1 3.78Å; F19-I77 HydrophobicContact CD2-CG2 3.87Å; F19-I77 HydrophobicContact CE2-CG1 4.31Å; F19-I77 HydrophobicContact CE2-CG2 4.02Å; F19-I77 HydrophobicContact CG-CG1 4.17Å; L66-I77 HydrophobicContact CD2-CD1 3.84Å; L66-I77 HydrophobicContact CD2-CG2 4.49Å; V73-I77 HydrophobicContact CG1-CD1 4.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 3.05Å; V73-I77 VanDerWaalsContact O-N 3.07Å; I74-I77 WeakPolarHBondContact O-CB 3.45Å; I74-I77 PolarHBondContact O-N 3.08Å; H75-I77 VanDerWaalsContact C-N 3.31Å; H75-I77 PolarHBondContact O-N 3.35Å; I77-N79 PolarHBondContact O-N 3.25Å; I77-S80 VanDerWaalsContact O-CB 3.24Å; I77-S80 WeakPolarHBondContact O-CB 3.29Å; I77-S80 PolarHBondContact O-N 3.39Å; I77-S80 PolarHBondContact O-OG 3.13Å; I77-Y86 HydrophobicContact CG2-CD2 4.01Å; I77-Y86 HydrophobicContact CG2-CE2 3.72Å
78L93.8Very high93.1Very high77 Ų7753.8 Ų53.840%0.40329%0.292SS..Hα-helixtrans-67.3-17.8179.1-66.5177.5000113.9I74 H75 A83 I91I74-L78 HydrophobicContact CG2-CD1 3.87Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CG 3.44Å; I74-L78 PolarHBondContact O-N 3.44Å; H75-L78 PolarHBondContact O-N 3.09Å; L78-A83 WeakPolarHBondContact O-CB 3.41Å; L78-I91 HydrophobicContact CD2-CD1 3.77Å
79N94.9Very high93.2Very high141 Ų14159.2 Ų59.275%0.75432%0.318SS*.THydrogen-bonded Turntrans-99.24.1172.2-69.1-53.4000113H75 I77H75-N79 WeakPolarHBondContact O-CB 3.24Å; H75-N79 PolarHBondContact O-N 3.37Å; H75-N79 PolarHBondContact O-ND2 3.49Å; I77-N79 PolarHBondContact O-N 3.25Å
80S95.4Very high93.6Very high22 Ų2259.3 Ų59.315%0.15432%0.318CS..SBendtrans-87.8165.8178.982.50000111.3F19 S76 I77 Y82 A83F19-S80 WeakPolarHBondContact CE2-OG 3.49Å; F19-S80 WeakPolarHBondContact CZ-OG 3.35Å; S76-S80 PolarHBondContact O-N 3.48Å; I77-S80 VanDerWaalsContact O-CB 3.24Å; I77-S80 WeakPolarHBondContact O-CB 3.29Å; I77-S80 PolarHBondContact O-N 3.39Å; I77-S80 PolarHBondContact O-OG 3.13Å; S80-Y82 PolarHBondContact O-N 3.32Å; S80-Y82 PolarHBondContact OG-N 2.67Å; S80-Y82 VanDerWaalsContact OG-N 3.17Å; S80-A83 VanDerWaalsContact O-CB 3.32Å; S80-A83 WeakPolarHBondContact O-CB 3.49Å; S80-A83 PolarHBondContact O-N 3.09Å; S80-A83 VanDerWaalsContact O-N 3.08Å
81P96.4Very high93.9Very high96 Ų9657.4 Ų57.462%0.62331%0.31SS*.THydrogen-bonded Turntrans-57.5-20.6171.4-2535.4000114.1P33P33-P81 HydrophobicContact CB-CB 4.35Å; P33-P81 WeakPolarHBondContact CB-O 3.39Å
82Y95.8Very high94.1Very high38 Ų3856.6 Ų56.615%0.14930%0.3CS..THydrogen-bonded Turntrans-95.612.6-178.9-70.1-96.6000112.8F19 K23 C26 P33 S80 N84 L85 Y86F19-Y82 HydrophobicContact CE2-CG 4.45Å; F19-Y82 HydrophobicContact CZ-CD2 4.24Å; K23-Y82 HydrophobicContact CB-CE1 4.38Å; K23-Y82 HydrophobicContact CD-CE2 4.17Å; K23-Y82 HydrophobicContact CG-CE1 4.28Å; K23-Y82 HydrophobicContact CG-CE2 4.04Å; C26-Y82 HydrophobicContact CB-CE1 4.21Å; P33-Y82 HydrophobicContact CB-CD1 3.8Å; P33-Y82 HydrophobicContact CB-CD2 4.06Å; P33-Y82 HydrophobicContact CB-CE1 3.78Å; P33-Y82 HydrophobicContact CB-CE2 4Å; P33-Y82 HydrophobicContact CB-CG 3.94Å; P33-Y82 HydrophobicContact CG-CE1 4.02Å; P33-Y82 HydrophobicContact CG-CE2 4.03Å; S80-Y82 PolarHBondContact O-N 3.32Å; S80-Y82 PolarHBondContact OG-N 2.67Å; S80-Y82 VanDerWaalsContact OG-N 3.17Å; Y82-N84 PolarHBondContact O-N 2.72Å; Y82-L85 HydrophobicContact CD1-CD2 3.97Å; Y82-L85 VanDerWaalsContact O-CB 3.26Å; Y82-L85 WeakPolarHBondContact O-CB 3.28Å; Y82-L85 PolarHBondContact O-N 2.63Å; Y82-L85 VanDerWaalsContact O-N 3.12Å; Y82-Y86 WeakPolarHBondContact O-CD2 3.29Å
83A93.1Very high93.9Very high20 Ų2052 Ų5217%0.16529%0.287CS..G310 helixtrans-57.8-39.4-178.700000112.5L78 S80 L85L78-A83 WeakPolarHBondContact O-CB 3.41Å; S80-A83 VanDerWaalsContact O-CB 3.32Å; S80-A83 WeakPolarHBondContact O-CB 3.49Å; S80-A83 PolarHBondContact O-N 3.09Å; S80-A83 VanDerWaalsContact O-N 3.08Å; A83-L85 VanDerWaalsContact C-N 3.27Å; A83-L85 PolarHBondContact O-N 2.94Å
84N92.9Very high93.3Very high120 Ų12051.8 Ų51.864%0.64229%0.286SS*.G310 helixtrans-81.9-3.6-178.5-61.8-24.5000113.4Y82Y82-N84 PolarHBondContact O-N 2.72Å
85L95.6Very high92.2Very high0 Ų060.4 Ų60.40%033%0.326CS..G310 helixtrans-70.7-42177.5-177.164.2000111.4W22 C26 P33 P62 Y82 A83W22-L85 HydrophobicContact CB-CD2 4.36Å; C26-L85 VanDerWaalsContact SG-CD2 3.58Å; P33-L85 WeakPolarHBondContact O-CB 3.48Å; P62-L85 WeakPolarHBondContact CD-O 3.37Å; P62-L85 HydrophobicContact CG-CD1 4.11Å; P62-L85 HydrophobicContact CG-CD2 3.75Å; P62-L85 HydrophobicContact CG-CG 3.57Å; Y82-L85 HydrophobicContact CD1-CD2 3.97Å; Y82-L85 VanDerWaalsContact O-CB 3.26Å; Y82-L85 WeakPolarHBondContact O-CB 3.28Å; Y82-L85 PolarHBondContact O-N 2.63Å; Y82-L85 VanDerWaalsContact O-N 3.12Å; A83-L85 VanDerWaalsContact C-N 3.27Å; A83-L85 PolarHBondContact O-N 2.94Å
86Y95.1Very high90.7Very high8 Ų862.7 Ų62.73%0.03134%0.337CS..SBendtrans-84.3144.6-171.7-60.8-87000111.2F19 W22 P62 A64 L66 I77 Y82 P88F19-Y86 HydrophobicContact CD2-CE2 4.25Å; W22-Y86 AromaticContact CD1-CE1 3.73Å; W22-Y86 HydrophobicContact CG-CE1 4.2Å; P62-Y86 HydrophobicContact CB-CD1 4.46Å; P62-Y86 HydrophobicContact CG-CD1 4.34Å; P62-Y86 HydrophobicContact CG-CE1 4.43Å; A64-Y86 HydrophobicContact CB-CD1 4.28Å; A64-Y86 HydrophobicContact CB-CE1 4.31Å; L66-Y86 HydrophobicContact CD1-CD1 3.66Å; L66-Y86 HydrophobicContact CD1-CE1 3.92Å; L66-Y86 HydrophobicContact CD1-CG 4.46Å; L66-Y86 HydrophobicContact CD2-CD1 4.47Å; L66-Y86 HydrophobicContact CD2-CE1 4.48Å; I77-Y86 HydrophobicContact CG2-CD2 4.01Å; I77-Y86 HydrophobicContact CG2-CE2 3.72Å; Y82-Y86 WeakPolarHBondContact O-CD2 3.29Å; Y86-P88 VanDerWaalsContact O-CD 3.24Å; Y86-P88 WeakPolarHBondContact O-CD 3.31Å
87N94.4Very high89Confident37 Ų3761.9 Ų61.920%0.19834%0.341CS..  trans-64.8118.5167.1-175.4-4.1000109.3I61 E89 N90I61-N87 HydrophobicContact CG2-CB 3.89Å; N87-E89 PolarHBondContact O-N 2.96Å; N87-E89 PolarHBondContact OD1-N 2.76Å; N87-N90 HydrophobicContact CB-CB 4.21Å; N87-N90 PolarHBondContact O-N 2.93Å
88P93.7Very high87.6Confident103 Ų10364.4 Ų64.467%0.66937%0.369SS*.G310 helixtrans-58.7-30.1178.4-24.635.6000113Y86 N90 I91Y86-P88 VanDerWaalsContact O-CD 3.24Å; Y86-P88 WeakPolarHBondContact O-CD 3.31Å; P88-N90 PolarHBondContact O-N 2.8Å; P88-I91 PolarHBondContact O-N 3.18Å
89E94.2Very high86.9Confident117 Ų11760.9 Ų60.955%0.54735%0.351SS..G310 helixtrans-71.3-13.6178-56.6-168.4168.800113.3N87 I91 R125N87-E89 PolarHBondContact O-N 2.96Å; N87-E89 PolarHBondContact OD1-N 2.76Å; E89-I91 VanDerWaalsContact C-N 3.34Å; E89-R125 VanDerWaalsContact C-NH2 3.29Å; E89-R125 PolarHBondContact O-NH2 2.93Å; E89-R125 IonicContact OE2-CZ 3.7Å; E89-R125 VanDerWaalsContact OE2-CZ 3.3Å; E89-R125 IonicContact OE2-NE 2.63Å; E89-R125 IonicContact OE2-NH1 3.06Å; E89-R125 PolarHBondContact OE2-NH1 3.4Å
90N95.9Very high86.3Confident1 Ų154.3 Ų54.31%0.00532%0.316CS..G310 helixtrans-94.66.9177.3-66.4-9.9000112.8A64 V65 L66 N87 P88 I122 R125 E126A64-N90 WeakPolarHBondContact O-CB 3.49Å; V65-N90 WeakPolarHBondContact CA-O 3.5Å; L66-N90 PolarHBondContact N-O 3.4Å; N87-N90 HydrophobicContact CB-CB 4.21Å; N87-N90 PolarHBondContact O-N 2.93Å; P88-N90 PolarHBondContact O-N 2.8Å; N90-I122 HydrophobicContact CB-CG2 4.28Å; N90-R125 PolarHBondContact OD1-NH2 3.02Å; N90-E126 PolarHBondContact ND2-OE1 3.14Å; N90-E126 PolarHBondContact OD1-OE1 3.42Å
91I95.2Very high85.7Confident32 Ų3256 Ų5616%0.16434%0.338CS..EExtended strand (participates in β ladder)trans-105.5113.4178.8-56.1179.1000108.1L66 I74 L78 P88 E89L66-I91 HydrophobicContact CB-CG1 4.29Å; L66-I91 HydrophobicContact CB-CG2 4.43Å; I74-I91 HydrophobicContact CD1-CG2 4.06Å; I74-I91 HydrophobicContact CG2-CG2 3.58Å; L78-I91 HydrophobicContact CD2-CD1 3.77Å; P88-I91 PolarHBondContact O-N 3.18Å; E89-I91 VanDerWaalsContact C-N 3.34Å
92Y92.4Very high85.4Confident34 Ų3455.1 Ų55.113%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-101.4127.7169.7-171.6-96.7000110.3L66 L67 D68 I74 I115 D118 I119 I122L66-Y92 PolarHBondContact O-N 2.9Å; L67-Y92 HydrophobicContact CD2-CG 4.25Å; D68-Y92 PolarHBondContact N-O 3.31Å; I74-Y92 WeakPolarHBondContact CD1-O 3.48Å; Y92-I115 HydrophobicContact CE1-CB 3.99Å; Y92-I115 HydrophobicContact CE1-CD1 4Å; Y92-I115 HydrophobicContact CE1-CG1 4.46Å; Y92-I115 HydrophobicContact CE1-CG2 4.05Å; Y92-I115 WeakPolarHBondContact OH-CB 3.46Å; Y92-I115 WeakPolarHBondContact OH-CG2 3.46Å; Y92-D118 HydrophobicContact CD2-CB 3.94Å; Y92-D118 HydrophobicContact CE2-CB 3.36Å; Y92-D118 WeakPolarHBondContact CE2-OD2 3.38Å; Y92-D118 PolarHBondContact OH-OD2 3.27Å; Y92-I119 HydrophobicContact CD1-CG1 4.42Å; Y92-I119 HydrophobicContact CG-CG1 4.44Å; Y92-I122 HydrophobicContact CD2-CD1 4.47Å
93L86.1Confident85.2Confident54 Ų5454 Ų5428%0.28332%0.324SS..EExtended strand (participates in β ladder)trans-129.4123.2171.5177.264.2000108.8P71 I74 E95P71-L93 VanDerWaalsContact CA-CD1 3.42Å; P71-L93 HydrophobicContact CB-CD1 3.95Å; P71-L93 HydrophobicContact CB-CD2 3.86Å; P71-L93 HydrophobicContact CB-CG 4.48Å; I74-L93 HydrophobicContact CD1-CB 4.4Å; I74-L93 HydrophobicContact CD1-CD1 4.29Å; L93-E95 PolarHBondContact O-N 3.06Å
94S79.4Confident85.3Confident6 Ų653 Ų534%0.04232%0.317CS..  trans-61.5121.5177.1175.30000111.1D68 H96D68-S94 PolarHBondContact O-N 2.71Å; S94-H96 PolarHBondContact O-N 3.44Å; S94-H96 PolarHBondContact OG-N 3.33Å; S94-H96 PolarHBondContact OG-O 3.43Å
95E68.9Low85.3Confident184 Ų18447.3 Ų47.386%0.8629%0.286SS*.SBendtrans-61.8-31.5174.6-61.3-170.6160.600111.9L93 G97L93-E95 PolarHBondContact O-N 3.06Å; E95-G97 PolarHBondContact O-N 2.86Å
96H63.9Low85.1Confident137 Ų13747.9 Ų47.963%0.63429%0.29SS*.SBendtrans-8295.4171.9-54.3-38.9000107.7S94 G98S94-H96 PolarHBondContact O-N 3.44Å; S94-H96 PolarHBondContact OG-N 3.33Å; S94-H96 PolarHBondContact OG-O 3.43Å; H96-G98 PolarHBondContact O-N 3.1Å
97G57.8Low85Confident66 Ų6647.5 Ų47.568%0.6829%0.288SS*.  trans-65.434-179.700000115.8E95E95-G97 PolarHBondContact O-N 2.86Å
98G65.3Low84.9Confident60 Ų6046.8 Ų46.862%0.61928%0.283SS*.  trans-80.8-9.5-177.800000114.9H96H96-G98 PolarHBondContact O-N 3.1Å
99G78.4Confident84.3Confident2 Ų242 Ų422%0.02125%0.252CS..  trans53.5-169.9-175.300000113
100A81.6Confident83.4Confident3 Ų340.1 Ų40.13%0.02524%0.243CC..  trans-100.5-2.9165.900000112.4L69 N102 N103 G151L69-A100 HydrophobicContact CD1-CB 3.88Å; A100-N102 VanDerWaalsContact C-N 3.26Å; A100-N102 PolarHBondContact O-N 3.5Å; A100-N102 VanDerWaalsContact O-N 3.14Å; A100-N103 WeakPolarHBondContact O-CB 3.24Å; A100-N103 PolarHBondContact O-N 3.29Å; A100-G151 VanDerWaalsContact CB-C 3.43Å
101G84.5Confident82.7Confident59 Ų5940.7 Ų40.761%0.60825%0.246SC*.THydrogen-bonded Turntrans5634.5175.400000114.8N103G101-N103 PolarHBondContact O-N 3.1Å; G101-N103 VanDerWaalsContact O-N 3.16Å
102N88.8Confident81.9Confident77 Ų7739.2 Ų39.241%0.41224%0.238SC..THydrogen-bonded Turntrans56.321.4-172.1-64-45.4000115.2A100 V188 V190 N194A100-N102 VanDerWaalsContact C-N 3.26Å; A100-N102 PolarHBondContact O-N 3.5Å; A100-N102 VanDerWaalsContact O-N 3.14Å; N102-V188 HydrophobicContact CB-CG1 3.72Å; N102-V188 HydrophobicContact CB-CG2 4.24Å; N102-V190 WeakPolarHBondContact O-CG2 3.45Å; N102-N194 PolarHBondContact O-ND2 3.17Å
103N92.1Very high81.5Confident14 Ų1443 Ų438%0.07526%0.256CS..  trans-111117.6178.1-175.8-15.2000110.1A100 G101 A105 S106 G107 Q414 F415A100-N103 WeakPolarHBondContact O-CB 3.24Å; A100-N103 PolarHBondContact O-N 3.29Å; G101-N103 PolarHBondContact O-N 3.1Å; G101-N103 VanDerWaalsContact O-N 3.16Å; N103-A105 PolarHBondContact O-N 3.45Å; N103-A105 VanDerWaalsContact OD1-CB 3.29Å; N103-A105 WeakPolarHBondContact OD1-CB 3.43Å; N103-A105 PolarHBondContact OD1-N 3.41Å; N103-S106 PolarHBondContact O-N 2.95Å; N103-G107 PolarHBondContact O-N 3.49Å; N103-Q414 PolarHBondContact ND2-O 2.68Å; N103-Q414 VanDerWaalsContact ND2-O 3.15Å; N103-F415 VanDerWaalsContact OD1-CE1 3.31Å; N103-F415 WeakPolarHBondContact OD1-CE1 3.29Å
104W95.3Very high81.4Confident0 Ų047.3 Ų47.30%027%0.272CS..Hα-helixtrans-55.4-40.5176.3178.5102.4000112.2S106 G107 Y108 S154 G155 S158 N194 L197 F415 I420 F421W104-S106 PolarHBondContact O-N 3.1Å; W104-G107 PolarHBondContact O-N 3.43Å; W104-Y108 HydrophobicContact CE3-CG 4.46Å; W104-Y108 AromaticContact CH2-CD1 3.76Å; W104-Y108 HydrophobicContact CH2-CD1 3.76Å; W104-Y108 AromaticContact CH2-CD2 3.54Å; W104-Y108 HydrophobicContact CH2-CD2 3.54Å; W104-Y108 HydrophobicContact CH2-CE1 4.15Å; W104-Y108 AromaticContact CH2-CE2 3.94Å; W104-Y108 HydrophobicContact CH2-CE2 3.94Å; W104-Y108 AromaticContact CH2-CG 3.44Å; W104-Y108 HydrophobicContact CH2-CG 3.44Å; W104-Y108 VanDerWaalsContact CH2-CG 3.44Å; W104-Y108 AromaticContact CZ2-CD2 3.47Å; W104-Y108 HydrophobicContact CZ2-CD2 3.47Å; W104-Y108 VanDerWaalsContact CZ2-CD2 3.47Å; W104-Y108 AromaticContact CZ2-CE2 3.96Å; W104-Y108 HydrophobicContact CZ2-CE2 3.96Å; W104-Y108 AromaticContact CZ2-CG 3.79Å; W104-Y108 HydrophobicContact CZ2-CG 3.79Å; W104-Y108 HydrophobicContact CZ3-CD1 4.03Å; W104-Y108 HydrophobicContact CZ3-CD2 4.36Å; W104-Y108 AromaticContact CZ3-CG 3.83Å; W104-Y108 HydrophobicContact CZ3-CG 3.83Å; W104-Y108 WeakPolarHBondContact O-CB 3.41Å; W104-Y108 PolarHBondContact O-N 3.34Å; W104-S154 PolarHBondContact NE1-O 3.15Å; W104-G155 VanDerWaalsContact O-CA 3.28Å; W104-G155 WeakPolarHBondContact O-CA 3.5Å; W104-S158 PolarHBondContact NE1-OG 2.75Å; W104-N194 HydrophobicContact CB-CB 4.15Å; W104-N194 VanDerWaalsContact CB-OD1 3.26Å; W104-N194 WeakPolarHBondContact CB-OD1 3.46Å; W104-N194 PolarHBondContact N-OD1 3.22Å; W104-L197 HydrophobicContact CB-CD1 4.15Å; W104-L197 HydrophobicContact CD2-CB 3.79Å; W104-L197 HydrophobicContact CD2-CD1 3.66Å; W104-L197 HydrophobicContact CD2-CG 4.22Å; W104-L197 HydrophobicContact CE3-CB 4.37Å; W104-L197 HydrophobicContact CE3-CD1 3.59Å; W104-L197 HydrophobicContact CE3-CD2 4.39Å; W104-L197 HydrophobicContact CE3-CG 4.34Å; W104-L197 HydrophobicContact CG-CB 3.96Å; W104-L197 HydrophobicContact CG-CD1 3.88Å; W104-L197 HydrophobicContact CH2-CD2 4.32Å; W104-L197 HydrophobicContact CZ2-CB 4.1Å; W104-L197 HydrophobicContact CZ3-CD1 4.23Å; W104-L197 HydrophobicContact CZ3-CD2 4.25Å; W104-F415 HydrophobicContact CB-CE1 4.35Å; W104-I420 HydrophobicContact CH2-CD1 4.1Å; W104-I420 HydrophobicContact CZ3-CD1 4.09Å; W104-I420 HydrophobicContact CZ3-CG2 4.33Å; W104-F421 HydrophobicContact CE3-CE2 4.08Å; W104-F421 HydrophobicContact CE3-CZ 4.44Å; W104-F421 HydrophobicContact CZ3-CE2 4Å; W104-F421 HydrophobicContact CZ3-CZ 4.18Å
105A93.5Very high81.8Confident0 Ų047.3 Ų47.30%027%0.272CS..Hα-helixtrans-67.5-36.9-173.700000112.7N103 Y108 S109 F415 E418 I420 F421N103-A105 PolarHBondContact O-N 3.45Å; N103-A105 VanDerWaalsContact OD1-CB 3.29Å; N103-A105 WeakPolarHBondContact OD1-CB 3.43Å; N103-A105 PolarHBondContact OD1-N 3.41Å; A105-Y108 PolarHBondContact O-N 3.01Å; A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.09Å; A105-F415 HydrophobicContact CB-CD1 3.78Å; A105-F415 HydrophobicContact CB-CE1 4.31Å; A105-E418 HydrophobicContact CB-CB 3.7Å; A105-E418 HydrophobicContact CB-CG 3.55Å; A105-I420 HydrophobicContact CB-CG2 4.43Å; A105-F421 HydrophobicContact CB-CD2 3.61Å; A105-F421 HydrophobicContact CB-CE2 3.6Å
106S91.5Very high82.9Confident12 Ų1241.2 Ų41.28%0.08424%0.243CC..Iπ-helixtrans-67.3-45.3175.21770000110.9N103 W104 Y108 Q110 Q111N103-S106 PolarHBondContact O-N 2.95Å; W104-S106 PolarHBondContact O-N 3.1Å; S106-Y108 VanDerWaalsContact C-N 3.3Å; S106-Y108 PolarHBondContact O-N 3.17Å; S106-Q110 WeakPolarHBondContact O-CB 3.48Å; S106-Q110 PolarHBondContact O-N 2.77Å; S106-Q110 PolarHBondContact OG-OE1 3.32Å; S106-Q110 VanDerWaalsContact OG-OE1 3.09Å; S106-Q111 PolarHBondContact O-N 3.47Å
107G91.2Very high84.2Confident0 Ų041.7 Ų41.70%025%0.246CC..Iπ-helixtrans-60.5-38.617500000113N103 W104 G112N103-G107 PolarHBondContact O-N 3.49Å; W104-G107 PolarHBondContact O-N 3.43Å; G107-G112 PolarHBondContact O-N 3.04Å
108Y92.9Very high85.8Confident21 Ų2142.2 Ų42.28%0.08223%0.233CC..Iπ-helixtrans-79-56.5-178-175.5-89.9000113.4W104 A105 S106 Y159 E162 I420W104-Y108 HydrophobicContact CE3-CG 4.46Å; W104-Y108 AromaticContact CH2-CD1 3.76Å; W104-Y108 HydrophobicContact CH2-CD1 3.76Å; W104-Y108 AromaticContact CH2-CD2 3.54Å; W104-Y108 HydrophobicContact CH2-CD2 3.54Å; W104-Y108 HydrophobicContact CH2-CE1 4.15Å; W104-Y108 AromaticContact CH2-CE2 3.94Å; W104-Y108 HydrophobicContact CH2-CE2 3.94Å; W104-Y108 AromaticContact CH2-CG 3.44Å; W104-Y108 HydrophobicContact CH2-CG 3.44Å; W104-Y108 VanDerWaalsContact CH2-CG 3.44Å; W104-Y108 AromaticContact CZ2-CD2 3.47Å; W104-Y108 HydrophobicContact CZ2-CD2 3.47Å; W104-Y108 VanDerWaalsContact CZ2-CD2 3.47Å; W104-Y108 AromaticContact CZ2-CE2 3.96Å; W104-Y108 HydrophobicContact CZ2-CE2 3.96Å; W104-Y108 AromaticContact CZ2-CG 3.79Å; W104-Y108 HydrophobicContact CZ2-CG 3.79Å; W104-Y108 HydrophobicContact CZ3-CD1 4.03Å; W104-Y108 HydrophobicContact CZ3-CD2 4.36Å; W104-Y108 AromaticContact CZ3-CG 3.83Å; W104-Y108 HydrophobicContact CZ3-CG 3.83Å; W104-Y108 WeakPolarHBondContact O-CB 3.41Å; W104-Y108 PolarHBondContact O-N 3.34Å; A105-Y108 PolarHBondContact O-N 3.01Å; S106-Y108 VanDerWaalsContact C-N 3.3Å; S106-Y108 PolarHBondContact O-N 3.17Å; Y108-Y159 HydrophobicContact CD2-CD2 4.33Å; Y108-Y159 HydrophobicContact CE2-CD2 4.07Å; Y108-E162 VanDerWaalsContact OH-CD 3.24Å; Y108-E162 PolarHBondContact OH-OE1 3.38Å; Y108-E162 VanDerWaalsContact OH-OE1 3.09Å; Y108-E162 PolarHBondContact OH-OE2 3.29Å; Y108-I420 HydrophobicContact CD1-CD1 4.17Å; Y108-I420 HydrophobicContact CE1-CD1 3.84Å
109S82.5Confident87.1Confident4 Ų439.5 Ų39.53%0.02820%0.204CC..Iπ-helixtrans-87.9-50.5-169.2-59.70000112.6A105 I420A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.09Å; S109-I420 WeakPolarHBondContact OG-CG2 3.33Å
110Q74.8Confident87.9Confident76 Ų7639.5 Ų39.536%0.35520%0.204SC..Iπ-helixtrans-78.7-44.9-171.6-172.7-177.731.400111.8S106 K114 E418S106-Q110 WeakPolarHBondContact O-CB 3.48Å; S106-Q110 PolarHBondContact O-N 2.77Å; S106-Q110 PolarHBondContact OG-OE1 3.32Å; S106-Q110 VanDerWaalsContact OG-OE1 3.09Å; Q110-K114 WeakPolarHBondContact O-CD 3.38Å; Q110-K114 WeakPolarHBondContact O-CE 3.32Å; Q110-K114 WeakPolarHBondContact O-CG 3.45Å; Q110-E418 WeakPolarHBondContact CB-OE2 3.42Å
111Q80Confident88.5Confident14 Ų1444.4 Ų44.47%0.06523%0.229CC..Iπ-helixtrans-90.4-56.6-175.6-60.5-71.110.600110.2L69 S106 K113 K114 I115L69-Q111 HydrophobicContact CD1-CB 3.84Å; L69-Q111 HydrophobicContact CD1-CG 3.85Å; L69-Q111 HydrophobicContact CD2-CB 3.98Å; L69-Q111 HydrophobicContact CD2-CG 4.27Å; S106-Q111 PolarHBondContact O-N 3.47Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.84Å; Q111-K114 PolarHBondContact O-N 2.63Å; Q111-I115 VanDerWaalsContact O-CG1 3.28Å; Q111-I115 WeakPolarHBondContact O-CG1 3.48Å; Q111-I115 PolarHBondContact O-N 2.94Å; Q111-I115 VanDerWaalsContact O-N 3.08Å
112G79.1Confident89Confident0 Ų042.3 Ų42.30%020%0.204CC..Iπ-helixtrans-50.8-45.4-175.700000114.9G107 Q116 Y159G107-G112 PolarHBondContact O-N 3.04Å; G112-Q116 PolarHBondContact O-N 3.36Å; G112-Y159 WeakPolarHBondContact O-CE1 3.27Å
113K83.3Confident89.3Confident114 Ų11438.6 Ų38.650%0.49618%0.184SC..THydrogen-bonded Turntrans-68.5-34.7178.3-67.2-178.5-177.5173.30113.8Q111 Y159Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.84Å; K113-Y159 HydrophobicContact CG-CE2 4.01Å
114K85.3Confident89.4Confident144 Ų14438.9 Ų38.963%0.62619%0.186SC*.THydrogen-bonded Turntrans-74.1-37.8-177.5-70.2-178.5-168.51760111.9Q110 Q111 Q116Q110-K114 WeakPolarHBondContact O-CD 3.38Å; Q110-K114 WeakPolarHBondContact O-CE 3.32Å; Q110-K114 WeakPolarHBondContact O-CG 3.45Å; Q111-K114 PolarHBondContact O-N 2.63Å; K114-Q116 VanDerWaalsContact C-N 3.33Å
115I87.6Confident89.3Confident7 Ų743.2 Ų43.24%0.03620%0.202CC..SBendtrans-95.89.7-176.273.1-171.6000112.1L69 Y92 Q111 E117 I119 L156L69-I115 HydrophobicContact CD2-CD1 3.8Å; Y92-I115 HydrophobicContact CE1-CB 3.99Å; Y92-I115 HydrophobicContact CE1-CD1 4Å; Y92-I115 HydrophobicContact CE1-CG1 4.46Å; Y92-I115 HydrophobicContact CE1-CG2 4.05Å; Y92-I115 WeakPolarHBondContact OH-CB 3.46Å; Y92-I115 WeakPolarHBondContact OH-CG2 3.46Å; Q111-I115 VanDerWaalsContact O-CG1 3.28Å; Q111-I115 WeakPolarHBondContact O-CG1 3.48Å; Q111-I115 PolarHBondContact O-N 2.94Å; Q111-I115 VanDerWaalsContact O-N 3.08Å; I115-E117 VanDerWaalsContact C-N 3.35Å; I115-E117 PolarHBondContact O-N 3.03Å; I115-I119 HydrophobicContact CB-CD1 4.45Å; I115-I119 HydrophobicContact CD1-CD1 3.6Å; I115-I119 HydrophobicContact CD1-CG1 4.47Å; I115-I119 HydrophobicContact CG1-CD1 3.54Å; I115-I119 HydrophobicContact CG1-CG1 4.14Å; I115-I119 WeakPolarHBondContact O-CB 3.38Å; I115-I119 WeakPolarHBondContact O-CG1 3.23Å; I115-I119 PolarHBondContact O-N 3.27Å; I115-L156 HydrophobicContact CD1-CD1 4.01Å; I115-L156 HydrophobicContact CD1-CD2 4.21Å; I115-L156 HydrophobicContact CG1-CD1 4.5Å
116Q90.6Very high89.3Confident55 Ų5544.4 Ų44.426%0.25721%0.207SC..Hα-helixtrans-58.8-47.3-175.3-170.2-161-96.900110.8G112 K114 F120 Y159G112-Q116 PolarHBondContact O-N 3.36Å; K114-Q116 VanDerWaalsContact C-N 3.33Å; Q116-F120 HydrophobicContact CG-CD2 3.81Å; Q116-F120 HydrophobicContact CG-CE2 4.15Å; Q116-F120 WeakPolarHBondContact O-CB 3.5Å; Q116-F120 WeakPolarHBondContact O-CD2 3.41Å; Q116-F120 PolarHBondContact O-N 2.88Å; Q116-Y159 HydrophobicContact CB-CE1 4.24Å; Q116-Y159 VanDerWaalsContact CD-OH 3.27Å; Q116-Y159 HydrophobicContact CG-CE1 4Å; Q116-Y159 VanDerWaalsContact CG-OH 3.29Å; Q116-Y159 WeakPolarHBondContact CG-OH 3.49Å; Q116-Y159 PolarHBondContact OE1-OH 3.17Å
117E91.4Very high89.2Confident148 Ų14843.9 Ų43.969%0.69220%0.204SC*.Hα-helixtrans-62.3-54.2-177.8-65.6-177.8171.800110.3I115 I119 F120 D121I115-E117 VanDerWaalsContact C-N 3.35Å; I115-E117 PolarHBondContact O-N 3.03Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 3.11Å; E117-F120 PolarHBondContact O-N 3.19Å; E117-F120 VanDerWaalsContact O-N 3.13Å; E117-D121 VanDerWaalsContact O-CG 3.31Å; E117-D121 PolarHBondContact O-N 3.01Å
118D91.8Very high89Confident77 Ų7749.6 Ų49.641%0.41223%0.234SC..Hα-helixtrans-54.6-44.3178.6-54.7-26.6000113.2Y92 I122Y92-D118 HydrophobicContact CD2-CB 3.94Å; Y92-D118 HydrophobicContact CE2-CB 3.36Å; Y92-D118 WeakPolarHBondContact CE2-OD2 3.38Å; Y92-D118 PolarHBondContact OH-OD2 3.27Å; D118-I122 WeakPolarHBondContact O-CG1 3.46Å; D118-I122 PolarHBondContact O-N 3.08Å
119I92.5Very high88.5Confident2 Ų250.7 Ų50.71%0.0125%0.252CS..Hα-helixtrans-68.3-43.6-179.4-69-179.1000110.8L67 Y92 I115 E117 I122 I123 L156 L160L67-I119 HydrophobicContact CD1-CD1 4.08Å; L67-I119 HydrophobicContact CD1-CG1 4.38Å; L67-I119 HydrophobicContact CD1-CG2 3.78Å; L67-I119 HydrophobicContact CD2-CD1 4.4Å; L67-I119 HydrophobicContact CD2-CG1 4.07Å; L67-I119 HydrophobicContact CD2-CG2 4.4Å; Y92-I119 HydrophobicContact CD1-CG1 4.42Å; Y92-I119 HydrophobicContact CG-CG1 4.44Å; I115-I119 HydrophobicContact CB-CD1 4.45Å; I115-I119 HydrophobicContact CD1-CD1 3.6Å; I115-I119 HydrophobicContact CD1-CG1 4.47Å; I115-I119 HydrophobicContact CG1-CD1 3.54Å; I115-I119 HydrophobicContact CG1-CG1 4.14Å; I115-I119 WeakPolarHBondContact O-CB 3.38Å; I115-I119 WeakPolarHBondContact O-CG1 3.23Å; I115-I119 PolarHBondContact O-N 3.27Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 3.11Å; I119-I122 PolarHBondContact O-N 2.69Å; I119-I123 HydrophobicContact CG2-CD1 3.64Å; I119-I123 HydrophobicContact CG2-CG1 4.32Å; I119-I123 WeakPolarHBondContact O-CG1 3.38Å; I119-I123 PolarHBondContact O-N 3.11Å; I119-I123 VanDerWaalsContact O-N 3.09Å; I119-L156 HydrophobicContact CD1-CD1 4.04Å; I119-L156 HydrophobicContact CD1-CD2 4.17Å; I119-L160 HydrophobicContact CG2-CD2 3.79Å
120F94.8Very high88.3Confident3 Ų350.5 Ų50.51%0.01325%0.251CS..Hα-helixtrans-73.3-30.6-177.8-87.8-76.1000112.6Q116 E117 I122 I123 D124 L160 R163 L164 R167Q116-F120 HydrophobicContact CG-CD2 3.81Å; Q116-F120 HydrophobicContact CG-CE2 4.15Å; Q116-F120 WeakPolarHBondContact O-CB 3.5Å; Q116-F120 WeakPolarHBondContact O-CD2 3.41Å; Q116-F120 PolarHBondContact O-N 2.88Å; E117-F120 PolarHBondContact O-N 3.19Å; E117-F120 VanDerWaalsContact O-N 3.13Å; F120-I122 PolarHBondContact O-N 3.27Å; F120-I123 HydrophobicContact CD1-CB 4.46Å; F120-I123 HydrophobicContact CE1-CD1 4.45Å; F120-I123 PolarHBondContact O-N 2.88Å; F120-D124 WeakPolarHBondContact O-CB 3.39Å; F120-D124 PolarHBondContact O-N 3.28Å; F120-L160 HydrophobicContact CE2-CD2 4.03Å; F120-L160 HydrophobicContact CZ-CD2 4.22Å; F120-R163 HydrophobicContact CE1-CB 4.5Å; F120-R163 HydrophobicContact CE2-CB 3.57Å; F120-R163 HydrophobicContact CE2-CG 4.09Å; F120-R163 HydrophobicContact CZ-CB 3.33Å; F120-R163 HydrophobicContact CZ-CG 4.34Å; F120-L164 HydrophobicContact CE1-CD2 4.18Å; F120-R167 VanDerWaalsContact CD1-CD 3.41Å
121D95.1Very high87.8Confident105 Ų10549.8 Ų49.856%0.56125%0.249SC*.Hα-helixtrans-57.8-40.6172.3-74.2-6.4000111.3E117 R125E117-D121 VanDerWaalsContact O-CG 3.31Å; E117-D121 PolarHBondContact O-N 3.01Å; D121-R125 VanDerWaalsContact O-CB 3.29Å; D121-R125 WeakPolarHBondContact O-CB 3.19Å; D121-R125 PolarHBondContact O-N 3.18Å; D121-R125 VanDerWaalsContact O-N 3.1Å
122I95.2Very high86.8Confident15 Ų1550.5 Ų50.58%0.07726%0.256CS..Hα-helixtrans-66.9-49.7174.7-61.8167.6000111.1V65 N90 Y92 D118 I119 F120 D124 R125 E126V65-I122 HydrophobicContact CB-CG2 4.48Å; V65-I122 HydrophobicContact CG1-CG2 3.77Å; V65-I122 HydrophobicContact CG2-CG2 3.91Å; N90-I122 HydrophobicContact CB-CG2 4.28Å; Y92-I122 HydrophobicContact CD2-CD1 4.47Å; D118-I122 WeakPolarHBondContact O-CG1 3.46Å; D118-I122 PolarHBondContact O-N 3.08Å; I119-I122 PolarHBondContact O-N 2.69Å; F120-I122 PolarHBondContact O-N 3.27Å; I122-D124 PolarHBondContact O-N 3.3Å; I122-R125 PolarHBondContact O-N 3.07Å; I122-E126 WeakPolarHBondContact O-CG 3.34Å; I122-E126 PolarHBondContact O-N 3.4Å; I122-E126 VanDerWaalsContact O-N 3.1Å
123I95.1Very high85.6Confident0 Ų058.7 Ų58.70%030%0.299CS..Hα-helixtrans-64.1-41.9-176.8-67.6173.3000111.1L8 I119 F120 E126 A127 F142 L160 L164 Y168L8-I123 HydrophobicContact CD1-CD1 4.35Å; L8-I123 HydrophobicContact CD2-CD1 4.17Å; L8-I123 HydrophobicContact CD2-CG1 4.09Å; I119-I123 HydrophobicContact CG2-CD1 3.64Å; I119-I123 HydrophobicContact CG2-CG1 4.32Å; I119-I123 WeakPolarHBondContact O-CG1 3.38Å; I119-I123 PolarHBondContact O-N 3.11Å; I119-I123 VanDerWaalsContact O-N 3.09Å; F120-I123 HydrophobicContact CD1-CB 4.46Å; F120-I123 HydrophobicContact CE1-CD1 4.45Å; F120-I123 PolarHBondContact O-N 2.88Å; I123-E126 PolarHBondContact O-N 2.96Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.39Å; I123-A127 PolarHBondContact O-N 3.17Å; I123-F142 HydrophobicContact CG2-CE1 3.78Å; I123-F142 HydrophobicContact CG2-CZ 4.21Å; I123-L160 HydrophobicContact CD1-CD2 4.45Å; I123-L164 HydrophobicContact CG2-CD2 4.29Å; I123-Y168 HydrophobicContact CG2-CE2 4.14Å
124D94.4Very high84Confident20 Ų2062.5 Ų62.511%0.10732%0.319CS..Hα-helixtrans-67.9-43.1-179.9-62.8-30.6000110.9F120 I122 E126 A127 D128 R167 Y168F120-D124 WeakPolarHBondContact O-CB 3.39Å; F120-D124 PolarHBondContact O-N 3.28Å; I122-D124 PolarHBondContact O-N 3.3Å; D124-E126 VanDerWaalsContact C-N 3.31Å; D124-E126 PolarHBondContact O-N 2.7Å; D124-A127 PolarHBondContact O-N 3.33Å; D124-D128 WeakPolarHBondContact O-CB 3.44Å; D124-D128 VanDerWaalsContact O-CG 3.31Å; D124-D128 PolarHBondContact O-N 2.97Å; D124-R167 VanDerWaalsContact CG-CZ 3.48Å; D124-R167 IonicContact OD1-CZ 3.95Å; D124-R167 IonicContact OD1-NE 2.94Å; D124-R167 PolarHBondContact OD1-NE 3.17Å; D124-R167 IonicContact OD1-NH2 3.18Å; D124-R167 IonicContact OD2-CZ 2.89Å; D124-R167 IonicContact OD2-NE 2.63Å; D124-R167 PolarHBondContact OD2-NE 3.37Å; D124-R167 IonicContact OD2-NH1 2.72Å; D124-R167 PolarHBondContact OD2-NH1 3.47Å; D124-R167 IonicContact OD2-NH2 3.21Å; D124-R167 PolarHBondContact OD2-NH2 2.96Å; D124-Y168 WeakPolarHBondContact CA-OH 3.21Å; D124-Y168 PolarHBondContact OD1-OH 2.88Å
125R93.4Very high82.4Confident91 Ų9161.3 Ų61.334%0.34332%0.319SS..Hα-helixtrans-56.5-46.1173.7-178.5-175.763.3-140.7-15111.6E89 N90 D121 I122 G129E89-R125 VanDerWaalsContact C-NH2 3.29Å; E89-R125 PolarHBondContact O-NH2 2.93Å; E89-R125 IonicContact OE2-CZ 3.7Å; E89-R125 VanDerWaalsContact OE2-CZ 3.3Å; E89-R125 IonicContact OE2-NE 2.63Å; E89-R125 IonicContact OE2-NH1 3.06Å; E89-R125 PolarHBondContact OE2-NH1 3.4Å; N90-R125 PolarHBondContact OD1-NH2 3.02Å; D121-R125 VanDerWaalsContact O-CB 3.29Å; D121-R125 WeakPolarHBondContact O-CB 3.19Å; D121-R125 PolarHBondContact O-N 3.18Å; D121-R125 VanDerWaalsContact O-N 3.1Å; I122-R125 PolarHBondContact O-N 3.07Å; R125-G129 PolarHBondContact O-N 2.89Å
126E92Very high80.9Confident24 Ų2462.3 Ų62.311%0.11233%0.331CS..Hα-helixtrans-68.6-35.7178.2-73.7-65.2138.400112.7I6 V65 N90 I122 I123 D124 S130I6-E126 HydrophobicContact CD1-CB 3.81Å; I6-E126 HydrophobicContact CG1-CB 4.37Å; V65-E126 HydrophobicContact CG2-CG 4.43Å; N90-E126 PolarHBondContact ND2-OE1 3.14Å; N90-E126 PolarHBondContact OD1-OE1 3.42Å; I122-E126 WeakPolarHBondContact O-CG 3.34Å; I122-E126 PolarHBondContact O-N 3.4Å; I122-E126 VanDerWaalsContact O-N 3.1Å; I123-E126 PolarHBondContact O-N 2.96Å; D124-E126 VanDerWaalsContact C-N 3.31Å; D124-E126 PolarHBondContact O-N 2.7Å; E126-S130 WeakPolarHBondContact O-CB 3.4Å; E126-S130 PolarHBondContact O-N 3.36Å; E126-S130 PolarHBondContact O-OG 3.21Å
127A90.1Very high79.4Confident1 Ų162.8 Ų62.81%0.00833%0.33CS..Hα-helixtrans-68.1-46.3176.800000111.6I6 I123 D124 G129 S130 D131 L139 Y168I6-A127 HydrophobicContact CD1-CB 4.16Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.39Å; I123-A127 PolarHBondContact O-N 3.17Å; D124-A127 PolarHBondContact O-N 3.33Å; A127-G129 VanDerWaalsContact C-N 3.33Å; A127-G129 PolarHBondContact O-N 3.12Å; A127-S130 WeakPolarHBondContact O-CA 3.24Å; A127-S130 WeakPolarHBondContact O-CB 3.45Å; A127-S130 PolarHBondContact O-N 2.81Å; A127-D131 PolarHBondContact O-N 3.28Å; A127-L139 HydrophobicContact CB-CD2 3.85Å; A127-Y168 HydrophobicContact CB-CE1 3.98Å; A127-Y168 WeakPolarHBondContact CB-OH 3.43Å
128D87.4Confident78.4Confident120 Ų12060.1 Ų60.164%0.64232%0.319SS*.Hα-helixtrans-64.6-37.6177.3-72.4-14.8000111.4D124 S130D124-D128 WeakPolarHBondContact O-CB 3.44Å; D124-D128 VanDerWaalsContact O-CG 3.31Å; D124-D128 PolarHBondContact O-N 2.97Å; D128-S130 PolarHBondContact O-N 3.1Å
129G82.1Confident77.8Confident44 Ų4456.5 Ų56.545%0.45430%0.299SS..Hα-helixtrans-65.8-17.9172.500000114.3R125 A127R125-G129 PolarHBondContact O-N 2.89Å; A127-G129 VanDerWaalsContact C-N 3.33Å; A127-G129 PolarHBondContact O-N 3.12Å
130S78.1Confident77.4Confident0 Ų057.9 Ų57.90%031%0.305CS..Hα-helixtrans-97.4-39.4178.6-56.90000112E4 R63 E126 A127 D128 S132 R137E4-S130 VanDerWaalsContact OE2-C 3.25Å; E4-S130 WeakPolarHBondContact OE2-CA 2.96Å; E4-S130 VanDerWaalsContact OE2-CB 3.26Å; E4-S130 WeakPolarHBondContact OE2-CB 3.21Å; R63-S130 PolarHBondContact NH1-OG 2.95Å; E126-S130 WeakPolarHBondContact O-CB 3.4Å; E126-S130 PolarHBondContact O-N 3.36Å; E126-S130 PolarHBondContact O-OG 3.21Å; A127-S130 WeakPolarHBondContact O-CA 3.24Å; A127-S130 WeakPolarHBondContact O-CB 3.45Å; A127-S130 PolarHBondContact O-N 2.81Å; D128-S130 PolarHBondContact O-N 3.1Å; S130-S132 VanDerWaalsContact C-N 3.35Å; S130-S132 PolarHBondContact O-N 2.89Å; S130-R137 CarbonylContact O-C 3.55Å; S130-R137 VanDerWaalsContact O-CB 3.24Å; S130-R137 WeakPolarHBondContact O-CB 3.47Å
131D63.6Low77.2Confident61 Ų6157.7 Ų57.733%0.32630%0.304SS..  trans-82.271178.5-84.3-23.6000112.2A127 M138 L139 K171A127-D131 PolarHBondContact O-N 3.28Å; D131-M138 WeakPolarHBondContact OD1-CA 3.44Å; D131-L139 WeakPolarHBondContact OD1-CB 3.48Å; D131-L139 PolarHBondContact OD1-N 3.42Å; D131-K171 IonicContact OD1-NZ 3.5Å; D131-K171 PolarHBondContact OD1-NZ 3.07Å; D131-K171 VanDerWaalsContact OD1-NZ 3.08Å; D131-K171 WeakPolarHBondContact OD2-CE 3.47Å; D131-K171 IonicContact OD2-NZ 3.91Å; D131-K171 PolarHBondContact OD2-NZ 3.28Å
132S59.5Low77.2Confident30 Ų3052.8 Ų52.821%0.2128%0.278CS..  trans-101102.2171.3-1770000112.2S130 E134 L135 G136 R137S130-S132 VanDerWaalsContact C-N 3.35Å; S130-S132 PolarHBondContact O-N 2.89Å; S132-E134 VanDerWaalsContact C-N 3.27Å; S132-E134 PolarHBondContact O-N 3.43Å; S132-L135 PolarHBondContact O-N 3.3Å; S132-L135 PolarHBondContact OG-N 3.16Å; S132-G136 PolarHBondContact O-N 3.49Å; S132-R137 PolarHBondContact O-N 3.3Å
133L53.4Low77.3Confident172 Ų17252.2 Ų52.290%0.90128%0.275SS*.THydrogen-bonded Turntrans-60.8-34.7175.6-72.6169.4000112.6G136L133-G136 PolarHBondContact O-N 2.99Å
134E49.8Very low77.4Confident194 Ų19452.3 Ų52.391%0.90728%0.276SS*.THydrogen-bonded Turntrans-71.1-34.3179.1-65.1-173.7167.200112.3S132S132-E134 VanDerWaalsContact C-N 3.27Å; S132-E134 PolarHBondContact O-N 3.43Å
135L53.2Low77.6Confident119 Ų11951.3 Ų51.362%0.62327%0.271SS*.THydrogen-bonded Turntrans-90.91176.7-67.1167.1000113.1S132 R137S132-L135 PolarHBondContact O-N 3.3Å; S132-L135 PolarHBondContact OG-N 3.16Å; L135-R137 HydrophobicContact CB-CG 4.12Å; L135-R137 PolarHBondContact O-N 2.8Å
136G54.9Low77.8Confident28 Ų2847 Ų4729%0.28925%0.254SS..THydrogen-bonded Turntrans62.727.8-17800000114S132 L133S132-G136 PolarHBondContact O-N 3.49Å; L133-G136 PolarHBondContact O-N 2.99Å
137R59Low78Confident65 Ų6546.8 Ų46.825%0.24526%0.255CS..  trans-95.9144.9177-63.7178.5174.5-174.82109.7P2 E4 S130 S132 L135P2-R137 HydrophobicContact CB-CG 4.17Å; P2-R137 HydrophobicContact CG-CG 4.15Å; E4-R137 WeakPolarHBondContact OE1-CD 3.5Å; E4-R137 IonicContact OE1-NH1 2.76Å; S130-R137 CarbonylContact O-C 3.55Å; S130-R137 VanDerWaalsContact O-CB 3.24Å; S130-R137 WeakPolarHBondContact O-CB 3.47Å; S132-R137 PolarHBondContact O-N 3.3Å; L135-R137 HydrophobicContact CB-CG 4.12Å; L135-R137 PolarHBondContact O-N 2.8Å
138M71.2Confident78.2Confident92 Ų9246.7 Ų46.745%0.45326%0.255SS..  trans-149.5118.4-178.3-174.3-170.8-179.100109.8E4 D131 K140E4-M138 PolarHBondContact N-O 3.37Å; D131-M138 WeakPolarHBondContact OD1-CA 3.44Å; M138-K140 PolarHBondContact O-N 2.98Å; M138-K140 PolarHBondContact SD-NZ 3.39Å
139L78.9Confident78.4Confident0 Ų041.5 Ų41.50%023%0.228CC..  trans-56.8121.5169.7178.267.3000108.6I6 A127 D131 F142 K171I6-L139 HydrophobicContact CB-CD1 4.48Å; I6-L139 HydrophobicContact CD1-CD1 3.73Å; I6-L139 HydrophobicContact CD1-CD2 4.12Å; I6-L139 HydrophobicContact CG1-CD1 3.78Å; A127-L139 HydrophobicContact CB-CD2 3.85Å; D131-L139 WeakPolarHBondContact OD1-CB 3.48Å; D131-L139 PolarHBondContact OD1-N 3.42Å; L139-F142 HydrophobicContact CD2-CE1 4.32Å; L139-F142 HydrophobicContact CD2-CE2 4.36Å; L139-F142 HydrophobicContact CD2-CZ 3.86Å; L139-K171 HydrophobicContact CB-CD 4.5Å; L139-K171 HydrophobicContact CD2-CD 4.34Å; L139-K171 HydrophobicContact CD2-CG 4.45Å; L139-K171 HydrophobicContact CG-CD 4.3Å; L139-K171 WeakPolarHBondContact O-CD 3.47Å; L139-K171 PolarHBondContact O-NZ 2.88Å
140K83.1Confident78.8Confident31 Ų3140.3 Ų40.314%0.13522%0.216CC..  trans-88.3-29.8178-71.5-64.3159.3-164.50113.2R3 E4 M138 L172 I261R3-K140 HydrophobicContact CB-CD 4.44Å; R3-K140 HydrophobicContact CB-CG 3.65Å; R3-K140 VanDerWaalsContact CD-CE 3.48Å; R3-K140 HydrophobicContact CG-CD 4.3Å; R3-K140 VanDerWaalsContact CG-CE 3.45Å; R3-K140 HydrophobicContact CG-CG 4.05Å; E4-K140 PolarHBondContact O-N 3.17Å; M138-K140 PolarHBondContact O-N 2.98Å; M138-K140 PolarHBondContact SD-NZ 3.39Å; K140-L172 PolarHBondContact O-N 2.87Å; K140-I261 HydrophobicContact CD-CD1 4.29Å
141G91.4Very high79.3Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans167.7-177.2-172.300000114I6 L172I6-G141 PolarHBondContact N-O 2.96Å; G141-L172 CarbonylContact C-O 3.59Å; G141-L172 WeakPolarHBondContact CA-O 3.3Å
142F95.6Very high80.6Confident1 Ų138 Ų380%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-112139.9177.1-57.8-83.2000109.4I6 L8 I123 L139 L164 Y168 K171 L172 Q174I6-F142 HydrophobicContact CB-CD1 3.92Å; I6-F142 HydrophobicContact CB-CE1 4.17Å; I6-F142 HydrophobicContact CD1-CE1 3.93Å; I6-F142 HydrophobicContact CG2-CD1 4.22Å; I6-F142 HydrophobicContact CG2-CE1 4.45Å; I6-F142 CarbonylContact O-C 3.56Å; I6-F142 WeakPolarHBondContact O-CA 3.48Å; L8-F142 HydrophobicContact CD1-CB 4.39Å; L8-F142 HydrophobicContact CD1-CD1 4.22Å; L8-F142 HydrophobicContact CG-CD1 4.46Å; I123-F142 HydrophobicContact CG2-CE1 3.78Å; I123-F142 HydrophobicContact CG2-CZ 4.21Å; L139-F142 HydrophobicContact CD2-CE1 4.32Å; L139-F142 HydrophobicContact CD2-CE2 4.36Å; L139-F142 HydrophobicContact CD2-CZ 3.86Å; F142-L164 HydrophobicContact CB-CD1 4.42Å; F142-L164 HydrophobicContact CD1-CD2 4.32Å; F142-L164 HydrophobicContact CD2-CD1 4.5Å; F142-L164 HydrophobicContact CD2-CD2 4.08Å; F142-L164 HydrophobicContact CE1-CD2 4.18Å; F142-L164 HydrophobicContact CE2-CD2 3.93Å; F142-L164 HydrophobicContact CG-CD1 4.32Å; F142-L164 HydrophobicContact CG-CD2 4.27Å; F142-L164 HydrophobicContact CZ-CD2 3.97Å; F142-Y168 HydrophobicContact CE2-CD1 4.39Å; F142-Y168 AromaticContact CE2-CD2 3.83Å; F142-Y168 HydrophobicContact CE2-CD2 3.83Å; F142-Y168 AromaticContact CE2-CG 3.76Å; F142-Y168 HydrophobicContact CE2-CG 3.76Å; F142-Y168 HydrophobicContact CZ-CD1 4.29Å; F142-Y168 AromaticContact CZ-CD2 3.72Å; F142-Y168 HydrophobicContact CZ-CD2 3.72Å; F142-Y168 HydrophobicContact CZ-CE1 4.49Å; F142-Y168 AromaticContact CZ-CE2 3.97Å; F142-Y168 HydrophobicContact CZ-CE2 3.97Å; F142-Y168 AromaticContact CZ-CG 3.91Å; F142-Y168 HydrophobicContact CZ-CG 3.91Å; F142-K171 HydrophobicContact CD2-CB 4.36Å; F142-K171 HydrophobicContact CE2-CB 4.05Å; F142-K171 HydrophobicContact CE2-CG 4.38Å; F142-L172 PolarHBondContact N-O 2.72Å; F142-Q174 PolarHBondContact O-N 3.08Å
143V96.6Very high82.3Confident4 Ų436.9 Ų36.92%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-109116.6168170.50000108.4I5 I6 T7 L8 Q174 Y176I5-V143 HydrophobicContact CG2-CB 4.1Å; I5-V143 HydrophobicContact CG2-CG2 3.45Å; I5-V143 VanDerWaalsContact CG2-CG2 3.45Å; I6-V143 PolarHBondContact O-N 3.49Å; T7-V143 CarbonylContact C-O 3.5Å; T7-V143 WeakPolarHBondContact CA-O 3.25Å; T7-V143 HydrophobicContact CG2-CG1 4.38Å; L8-V143 PolarHBondContact N-O 2.97Å; V143-Q174 CarbonylContact C-O 3.59Å; V143-Q174 VanDerWaalsContact CA-O 3.24Å; V143-Q174 WeakPolarHBondContact CA-O 3.24Å; V143-Q174 HydrophobicContact CG2-CB 4.37Å; V143-Y176 HydrophobicContact CG1-CD2 3.58Å; V143-Y176 HydrophobicContact CG1-CE2 3.61Å
144L97.9Very high84.3Confident1 Ų128.7 Ų28.71%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-97.6121.1178.9-166.668.9000111.2L8 L10 L161 Q174 T175 Y176L8-L144 HydrophobicContact CB-CD1 3.6Å; L8-L144 HydrophobicContact CD1-CD1 4.19Å; L10-L144 HydrophobicContact CD1-CD1 3.46Å; L10-L144 VanDerWaalsContact CD1-CD1 3.46Å; L10-L144 HydrophobicContact CD1-CD2 4.32Å; L10-L144 HydrophobicContact CD1-CG 4.2Å; L10-L144 HydrophobicContact CG-CD1 3.78Å; L144-L161 HydrophobicContact CD2-CD1 4.19Å; L144-L161 HydrophobicContact CD2-CD2 3.79Å; L144-L161 HydrophobicContact CD2-CG 3.83Å; L144-Q174 PolarHBondContact N-O 2.83Å; L144-T175 HydrophobicContact CB-CG2 3.9Å; L144-T175 HydrophobicContact CD2-CG2 4.27Å; L144-T175 CarbonylContact O-C 3.5Å; L144-T175 VanDerWaalsContact O-CA 3.3Å; L144-T175 WeakPolarHBondContact O-CA 3.49Å; L144-Y176 PolarHBondContact O-N 2.94Å
145C98Very high86.4Confident0 Ų019.4 Ų19.40%011%0.112CC..EExtended strand (participates in β ladder)trans-106111.9174.2-65.70000109L8 Q9 L10 G14 I17 M243L8-C145 PolarHBondContact O-N 2.96Å; Q9-C145 HydrophobicContact CG-CB 4.41Å; L10-C145 PolarHBondContact N-O 3.43Å; G14-C145 WeakPolarHBondContact CA-O 2.93Å; I17-C145 HydrophobicContact CD1-CB 4.06Å; I17-C145 HydrophobicContact CG1-CB 4.18Å; C145-M243 WeakPolarHBondContact SG-CE 3.49Å
146H97.7Very high88.4Confident0 Ų013.8 Ų13.80%08%0.082CC..EExtended strand (participates in β ladder)trans-156.9166.2-174.779129.3000113.4L10 G153 Y176 S177 V178L10-H146 HydrophobicContact CB-CB 4.06Å; H146-G153 PolarHBondContact ND1-O 2.88Å; H146-Y176 PolarHBondContact N-O 3.02Å; H146-S177 PolarHBondContact CD2-OG 3.32Å; H146-S177 PolarHBondContact NE2-OG 3.38Å; H146-V178 PolarHBondContact O-N 2.91Å
147S95.6Very high90.4Very high19 Ų1912.5 Ų12.513%0.1337%0.068CC..EExtended strand (participates in β ladder)trans-102.9139.7168.1172.70000110.4A149 G153 S154S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact OG-N 2.94Å; S147-G153 CarbonylContact O-C 3.53Å; S147-S154 PolarHBondContact O-N 3.42Å
148I95.7Very high92.2Very high0 Ų09.4 Ų9.40%06%0.057CC..SBendtrans-80.9-12.4177.372.2172.5000113.2S154 V178 F179 N194 S195 T198 L202I148-S154 WeakPolarHBondContact O-CB 3.28Å; I148-V178 PolarHBondContact N-O 3.38Å; I148-V178 VanDerWaalsContact N-O 3.17Å; I148-F179 HydrophobicContact CD1-CB 4.34Å; I148-F179 HydrophobicContact CD1-CD1 3.56Å; I148-F179 HydrophobicContact CD1-CD2 3.77Å; I148-F179 HydrophobicContact CD1-CE1 3.67Å; I148-F179 HydrophobicContact CD1-CE2 3.88Å; I148-F179 HydrophobicContact CD1-CG 3.62Å; I148-F179 HydrophobicContact CD1-CZ 3.84Å; I148-F179 HydrophobicContact CG1-CD2 4.48Å; I148-F179 HydrophobicContact CG1-CG 4.48Å; I148-F179 HydrophobicContact CG2-CE2 4.4Å; I148-N194 CarbonylContact O-C 3.54Å; I148-S195 VanDerWaalsContact O-CA 3.31Å; I148-S195 WeakPolarHBondContact O-CA 3.48Å; I148-S195 PolarHBondContact O-N 3.21Å; I148-T198 HydrophobicContact CB-CG2 4.02Å; I148-T198 HydrophobicContact CG2-CG2 3.88Å; I148-L202 HydrophobicContact CG2-CD1 3.9Å
149A90.6Very high93.4Very high10 Ų105.2 Ų5.28%0.0834%0.036CC..SBendtrans-104.3-24-169.800000114.2S147 P180 Q191 N194S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact OG-N 2.94Å; A149-P180 HydrophobicContact CB-CB 3.74Å; A149-P180 HydrophobicContact CB-CG 3.86Å; A149-Q191 HydrophobicContact CB-CB 4.41Å; A149-Q191 HydrophobicContact CB-CG 3.58Å; A149-N194 PolarHBondContact O-ND2 3.36Å
150G90.1Very high94.2Very high19 Ų195.3 Ų5.320%0.1964%0.036CC..SBendtrans-71.4-173.6179.800000113S154 N194G150-S154 WeakPolarHBondContact O-CB 3.31Å; G150-S154 PolarHBondContact O-OG 3.41Å; G150-N194 PolarHBondContact O-ND2 3.08Å
151G89.2Confident94.8Very high4 Ų43.8 Ų3.84%0.0413%0.03CC..SBendtrans-85.8-57.7172.100000112.4A100 S154 G155A100-G151 VanDerWaalsContact CB-C 3.43Å; G151-S154 PolarHBondContact O-OG 3.02Å; G151-G155 PolarHBondContact O-N 2.81Å
152T92.1Very high95Very high10 Ų105.4 Ų5.46%0.0614%0.037CC..Iπ-helixtrans-66.1-56.1-177.3-47.30000111.7L69 S154 L156 G157L69-T152 HydrophobicContact CB-CG2 4.38Å; L69-T152 HydrophobicContact CD1-CG2 3.92Å; L69-T152 HydrophobicContact CG-CG2 3.8Å; T152-S154 PolarHBondContact O-N 3.45Å; T152-L156 HydrophobicContact CG2-CB 4.28Å; T152-L156 HydrophobicContact CG2-CD2 4.03Å; T152-L156 WeakPolarHBondContact O-CA 3.21Å; T152-L156 VanDerWaalsContact O-CB 3.24Å; T152-L156 WeakPolarHBondContact O-CB 3.48Å; T152-L156 PolarHBondContact O-N 3.3Å; T152-G157 PolarHBondContact O-N 3.08Å
153G93.9Very high95Very high5 Ų59.4 Ų9.45%0.0525%0.052CC..Iπ-helixtrans-61.1-29.2-177.900000113.7H146 S147H146-G153 PolarHBondContact ND1-O 2.88Å; S147-G153 CarbonylContact O-C 3.53Å
154S95.4Very high95Very high0 Ų09.2 Ų9.20%05%0.051CC..Iπ-helixtrans-84.9-58.9178.679.30000110.7W104 S147 I148 G150 G151 T152 S158 T198W104-S154 PolarHBondContact NE1-O 3.15Å; S147-S154 PolarHBondContact O-N 3.42Å; I148-S154 WeakPolarHBondContact O-CB 3.28Å; G150-S154 WeakPolarHBondContact O-CB 3.31Å; G150-S154 PolarHBondContact O-OG 3.41Å; G151-S154 PolarHBondContact O-OG 3.02Å; T152-S154 PolarHBondContact O-N 3.45Å; S154-S158 WeakPolarHBondContact O-CB 3.39Å; S154-S158 PolarHBondContact O-N 2.85Å; S154-S158 PolarHBondContact O-OG 3.35Å; S154-T198 VanDerWaalsContact CA-OG1 3.28Å; S154-T198 WeakPolarHBondContact CA-OG1 3.24Å; S154-T198 WeakPolarHBondContact CB-OG1 3.46Å; S154-T198 PolarHBondContact O-OG1 3.48Å
155G95.1Very high94.7Very high0 Ų012.4 Ų12.40%07%0.068CC..Iπ-helixtrans-69.7-60.1-174.200000113.1W104 G151 G157 S158 Y159W104-G155 VanDerWaalsContact O-CA 3.28Å; W104-G155 WeakPolarHBondContact O-CA 3.5Å; G151-G155 PolarHBondContact O-N 2.81Å; G155-G157 VanDerWaalsContact C-N 3.26Å; G155-G157 PolarHBondContact O-N 3.4Å; G155-S158 WeakPolarHBondContact O-CB 3.33Å; G155-S158 PolarHBondContact O-N 3.34Å; G155-Y159 PolarHBondContact O-N 2.89Å
156L94.4Very high94.5Very high1 Ų117.9 Ų17.91%0.00510%0.098CC..Iπ-helixtrans-63.2-36.3177.4-177.163.4000110.8I115 I119 T152 Y159 L160I115-L156 HydrophobicContact CD1-CD1 4.01Å; I115-L156 HydrophobicContact CD1-CD2 4.21Å; I115-L156 HydrophobicContact CG1-CD1 4.5Å; I119-L156 HydrophobicContact CD1-CD1 4.04Å; I119-L156 HydrophobicContact CD1-CD2 4.17Å; T152-L156 HydrophobicContact CG2-CB 4.28Å; T152-L156 HydrophobicContact CG2-CD2 4.03Å; T152-L156 WeakPolarHBondContact O-CA 3.21Å; T152-L156 VanDerWaalsContact O-CB 3.24Å; T152-L156 WeakPolarHBondContact O-CB 3.48Å; T152-L156 PolarHBondContact O-N 3.3Å; L156-Y159 HydrophobicContact CD1-CD1 4.47Å; L156-Y159 WeakPolarHBondContact O-CB 3.17Å; L156-Y159 PolarHBondContact O-N 2.9Å; L156-L160 HydrophobicContact CG-CD1 4.21Å; L156-L160 WeakPolarHBondContact O-CG 3.32Å; L156-L160 PolarHBondContact O-N 3.21Å
157G96.3Very high94.3Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-62.4-42.1173.700000113.5T152 G155 Y159 L160 L161T152-G157 PolarHBondContact O-N 3.08Å; G155-G157 VanDerWaalsContact C-N 3.26Å; G155-G157 PolarHBondContact O-N 3.4Å; G157-Y159 VanDerWaalsContact C-N 3.32Å; G157-Y159 PolarHBondContact O-N 2.87Å; G157-L160 PolarHBondContact O-N 3.15Å; G157-L161 VanDerWaalsContact O-CG 3.28Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 3.07Å
158S96.9Very high94.2Very high0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-63.5-40.5175.7-62.10000111.6W104 S154 G155 L161 E162 T198W104-S158 PolarHBondContact NE1-OG 2.75Å; S154-S158 WeakPolarHBondContact O-CB 3.39Å; S154-S158 PolarHBondContact O-N 2.85Å; S154-S158 PolarHBondContact O-OG 3.35Å; G155-S158 WeakPolarHBondContact O-CB 3.33Å; G155-S158 PolarHBondContact O-N 3.34Å; S158-L161 PolarHBondContact O-N 2.6Å; S158-E162 PolarHBondContact O-N 3.41Å; S158-T198 WeakPolarHBondContact OG-CA 3.28Å; S158-T198 PolarHBondContact OG-OG1 3.26Å
159Y96Very high94Very high5 Ų528.9 Ų28.92%0.0215%0.148CC..Hα-helixtrans-63.1-46.4176.1-177.3-103.4000112Y108 G112 K113 Q116 G155 L156 G157 L161 E162 R163Y108-Y159 HydrophobicContact CD2-CD2 4.33Å; Y108-Y159 HydrophobicContact CE2-CD2 4.07Å; G112-Y159 WeakPolarHBondContact O-CE1 3.27Å; K113-Y159 HydrophobicContact CG-CE2 4.01Å; Q116-Y159 HydrophobicContact CB-CE1 4.24Å; Q116-Y159 VanDerWaalsContact CD-OH 3.27Å; Q116-Y159 HydrophobicContact CG-CE1 4Å; Q116-Y159 VanDerWaalsContact CG-OH 3.29Å; Q116-Y159 WeakPolarHBondContact CG-OH 3.49Å; Q116-Y159 PolarHBondContact OE1-OH 3.17Å; G155-Y159 PolarHBondContact O-N 2.89Å; L156-Y159 HydrophobicContact CD1-CD1 4.47Å; L156-Y159 WeakPolarHBondContact O-CB 3.17Å; L156-Y159 PolarHBondContact O-N 2.9Å; G157-Y159 VanDerWaalsContact C-N 3.32Å; G157-Y159 PolarHBondContact O-N 2.87Å; Y159-L161 PolarHBondContact O-N 3.45Å; Y159-E162 PolarHBondContact O-N 3.45Å; Y159-R163 HydrophobicContact CD1-CG 4.19Å; Y159-R163 HydrophobicContact CE1-CG 3.9Å; Y159-R163 HydrophobicContact CE2-CG 4.25Å; Y159-R163 VanDerWaalsContact O-CG 3.27Å; Y159-R163 WeakPolarHBondContact O-CG 3.27Å; Y159-R163 PolarHBondContact O-N 3.03Å
160L96.3Very high94Very high1 Ų137.9 Ų37.91%0.00519%0.186CC..Hα-helixtrans-66.1-37.1178.4-70.5172.7000112.5L10 L67 I119 F120 I123 L156 G157 E162 R163 L164L10-L160 HydrophobicContact CD1-CD1 3.89Å; L10-L160 HydrophobicContact CD2-CD1 3.67Å; L10-L160 HydrophobicContact CG-CD1 4.43Å; L67-L160 HydrophobicContact CD1-CD1 3.72Å; I119-L160 HydrophobicContact CG2-CD2 3.79Å; F120-L160 HydrophobicContact CE2-CD2 4.03Å; F120-L160 HydrophobicContact CZ-CD2 4.22Å; I123-L160 HydrophobicContact CD1-CD2 4.45Å; L156-L160 HydrophobicContact CG-CD1 4.21Å; L156-L160 WeakPolarHBondContact O-CG 3.32Å; L156-L160 PolarHBondContact O-N 3.21Å; G157-L160 PolarHBondContact O-N 3.15Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 3.09Å; L160-R163 PolarHBondContact O-N 2.81Å; L160-L164 VanDerWaalsContact O-CB 3.27Å; L160-L164 WeakPolarHBondContact O-CB 3.47Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 2.9Å
161L96.9Very high94.1Very high0 Ų038.3 Ų38.30%018%0.182CC..Hα-helixtrans-58.7-44.2174.7-75170.7000112.1L144 G157 S158 Y159 N165 V173 T175 R201 L202 N205L144-L161 HydrophobicContact CD2-CD1 4.19Å; L144-L161 HydrophobicContact CD2-CD2 3.79Å; L144-L161 HydrophobicContact CD2-CG 3.83Å; G157-L161 VanDerWaalsContact O-CG 3.28Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 3.07Å; S158-L161 PolarHBondContact O-N 2.6Å; Y159-L161 PolarHBondContact O-N 3.45Å; L161-N165 PolarHBondContact O-N 3.03Å; L161-V173 HydrophobicContact CD2-CG1 3.62Å; L161-T175 HydrophobicContact CD2-CG2 4.11Å; L161-R201 HydrophobicContact CB-CB 4.47Å; L161-R201 HydrophobicContact CD1-CB 4.07Å; L161-L202 HydrophobicContact CD1-CD2 3.84Å; L161-L202 HydrophobicContact CD1-CG 4.42Å; L161-N205 HydrophobicContact CB-CB 4Å
162E95.8Very high94.3Very high33 Ų3339.6 Ų39.615%0.15419%0.188CC..Hα-helixtrans-63.2-50.7175-69.2-174.7-178.500111.6Y108 S158 Y159 L160 L164 N165 D166 R201Y108-E162 VanDerWaalsContact OH-CD 3.24Å; Y108-E162 PolarHBondContact OH-OE1 3.38Å; Y108-E162 VanDerWaalsContact OH-OE1 3.09Å; Y108-E162 PolarHBondContact OH-OE2 3.29Å; S158-E162 PolarHBondContact O-N 3.41Å; Y159-E162 PolarHBondContact O-N 3.45Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 3.09Å; E162-L164 PolarHBondContact O-N 3.17Å; E162-N165 WeakPolarHBondContact O-CB 3.29Å; E162-N165 PolarHBondContact O-N 3.47Å; E162-D166 PolarHBondContact O-N 3.27Å; E162-D166 VanDerWaalsContact O-N 3.14Å; E162-R201 IonicContact OE1-CZ 3.34Å; E162-R201 IonicContact OE1-NE 2.8Å; E162-R201 PolarHBondContact OE1-NE 2.9Å; E162-R201 IonicContact OE1-NH2 3.3Å; E162-R201 PolarHBondContact OE1-NH2 3.34Å
163R95.4Very high94.5Very high85 Ų8539.3 Ų39.332%0.32119%0.186SC..Hα-helixtrans-66.8-36.4-174.4-64.8-70.6132.5152-9.7113.1F120 Y159 L160 N165 D166 R167F120-R163 HydrophobicContact CE1-CB 4.5Å; F120-R163 HydrophobicContact CE2-CB 3.57Å; F120-R163 HydrophobicContact CE2-CG 4.09Å; F120-R163 HydrophobicContact CZ-CB 3.33Å; F120-R163 HydrophobicContact CZ-CG 4.34Å; Y159-R163 HydrophobicContact CD1-CG 4.19Å; Y159-R163 HydrophobicContact CE1-CG 3.9Å; Y159-R163 HydrophobicContact CE2-CG 4.25Å; Y159-R163 VanDerWaalsContact O-CG 3.27Å; Y159-R163 WeakPolarHBondContact O-CG 3.27Å; Y159-R163 PolarHBondContact O-N 3.03Å; L160-R163 PolarHBondContact O-N 2.81Å; R163-N165 VanDerWaalsContact C-N 3.32Å; R163-D166 PolarHBondContact O-N 2.86Å; R163-R167 VanDerWaalsContact O-CB 3.24Å; R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 PolarHBondContact O-N 2.59Å
164L94.9Very high94.6Very high1 Ų139.5 Ų39.51%0.00519%0.186CC..Hα-helixtrans-65.6-37.7175-72.7170.5000111.3L8 F120 I123 F142 L160 E162 D166 Y168L8-L164 HydrophobicContact CD1-CD1 3.6Å; F120-L164 HydrophobicContact CE1-CD2 4.18Å; I123-L164 HydrophobicContact CG2-CD2 4.29Å; F142-L164 HydrophobicContact CB-CD1 4.42Å; F142-L164 HydrophobicContact CD1-CD2 4.32Å; F142-L164 HydrophobicContact CD2-CD1 4.5Å; F142-L164 HydrophobicContact CD2-CD2 4.08Å; F142-L164 HydrophobicContact CE1-CD2 4.18Å; F142-L164 HydrophobicContact CE2-CD2 3.93Å; F142-L164 HydrophobicContact CG-CD1 4.32Å; F142-L164 HydrophobicContact CG-CD2 4.27Å; F142-L164 HydrophobicContact CZ-CD2 3.97Å; L160-L164 VanDerWaalsContact O-CB 3.27Å; L160-L164 WeakPolarHBondContact O-CB 3.47Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 2.9Å; E162-L164 PolarHBondContact O-N 3.17Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-Y168 HydrophobicContact CD2-CD2 3.97Å; L164-Y168 HydrophobicContact CD2-CE2 4.41Å; L164-Y168 CarbonylContact O-C 3.5Å; L164-Y168 WeakPolarHBondContact O-CA 3.2Å; L164-Y168 WeakPolarHBondContact O-CB 3.47Å; L164-Y168 PolarHBondContact O-N 3.39Å
165N93.1Very high94.7Very high67 Ų6739.5 Ų39.536%0.35819%0.186SC..Hα-helixtrans-66-38.8177.3-160.633.9000111.6L161 E162 R163 P169L161-N165 PolarHBondContact O-N 3.03Å; E162-N165 WeakPolarHBondContact O-CB 3.29Å; E162-N165 PolarHBondContact O-N 3.47Å; R163-N165 VanDerWaalsContact C-N 3.32Å; N165-P169 WeakPolarHBondContact O-CA 3.3Å; N165-P169 WeakPolarHBondContact O-CB 3.39Å
166D93.1Very high94.9Very high116 Ų11639.6 Ų39.662%0.6219%0.186SC*.Hα-helixtrans-71.4-44.1176.9-66.9-20.1000112.3E162 R163 L164E162-D166 PolarHBondContact O-N 3.27Å; E162-D166 VanDerWaalsContact O-N 3.14Å; R163-D166 PolarHBondContact O-N 2.86Å; L164-D166 VanDerWaalsContact C-N 3.34Å
167R93.8Very high95.1Very high125 Ų12539.5 Ų39.547%0.47219%0.186SC..Hα-helixtrans-81.7-34.5-174.2-165.8172.2-172.3130.315.8113.1F120 D124 R163 P169F120-R167 VanDerWaalsContact CD1-CD 3.41Å; D124-R167 VanDerWaalsContact CG-CZ 3.48Å; D124-R167 IonicContact OD1-CZ 3.95Å; D124-R167 IonicContact OD1-NE 2.94Å; D124-R167 PolarHBondContact OD1-NE 3.17Å; D124-R167 IonicContact OD1-NH2 3.18Å; D124-R167 IonicContact OD2-CZ 2.89Å; D124-R167 IonicContact OD2-NE 2.63Å; D124-R167 PolarHBondContact OD2-NE 3.37Å; D124-R167 IonicContact OD2-NH1 2.72Å; D124-R167 PolarHBondContact OD2-NH1 3.47Å; D124-R167 IonicContact OD2-NH2 3.21Å; D124-R167 PolarHBondContact OD2-NH2 2.96Å; R163-R167 VanDerWaalsContact O-CB 3.24Å; R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 PolarHBondContact O-N 2.59Å; R167-P169 VanDerWaalsContact C-CD 3.4Å; R167-P169 WeakPolarHBondContact O-CD 3.49Å
168Y93.4Very high95Very high32 Ų3239.7 Ų39.713%0.12519%0.187CC..  trans-126.655.3-175.6-64.7-78000113.1I123 D124 A127 F142 L164 K170 K171I123-Y168 HydrophobicContact CG2-CE2 4.14Å; D124-Y168 WeakPolarHBondContact CA-OH 3.21Å; D124-Y168 PolarHBondContact OD1-OH 2.88Å; A127-Y168 HydrophobicContact CB-CE1 3.98Å; A127-Y168 WeakPolarHBondContact CB-OH 3.43Å; F142-Y168 HydrophobicContact CE2-CD1 4.39Å; F142-Y168 AromaticContact CE2-CD2 3.83Å; F142-Y168 HydrophobicContact CE2-CD2 3.83Å; F142-Y168 AromaticContact CE2-CG 3.76Å; F142-Y168 HydrophobicContact CE2-CG 3.76Å; F142-Y168 HydrophobicContact CZ-CD1 4.29Å; F142-Y168 AromaticContact CZ-CD2 3.72Å; F142-Y168 HydrophobicContact CZ-CD2 3.72Å; F142-Y168 HydrophobicContact CZ-CE1 4.49Å; F142-Y168 AromaticContact CZ-CE2 3.97Å; F142-Y168 HydrophobicContact CZ-CE2 3.97Å; F142-Y168 AromaticContact CZ-CG 3.91Å; F142-Y168 HydrophobicContact CZ-CG 3.91Å; L164-Y168 HydrophobicContact CD2-CD2 3.97Å; L164-Y168 HydrophobicContact CD2-CE2 4.41Å; L164-Y168 CarbonylContact O-C 3.5Å; L164-Y168 WeakPolarHBondContact O-CA 3.2Å; L164-Y168 WeakPolarHBondContact O-CB 3.47Å; L164-Y168 PolarHBondContact O-N 3.39Å; Y168-K170 PolarHBondContact O-N 3.31Å; Y168-K171 HydrophobicContact CD1-CG 4.16Å; Y168-K171 HydrophobicContact CG-CG 4.37Å; Y168-K171 WeakPolarHBondContact O-CB 3.43Å; Y168-K171 PolarHBondContact O-N 2.98Å
169P90.8Very high94.9Very high92 Ų9239.7 Ų39.760%0.59719%0.187SC*.THydrogen-bonded Turntrans-65.4-10.9-169.426.9-37.4000115.4N165 R167N165-P169 WeakPolarHBondContact O-CA 3.3Å; N165-P169 WeakPolarHBondContact O-CB 3.39Å; R167-P169 VanDerWaalsContact C-CD 3.4Å; R167-P169 WeakPolarHBondContact O-CD 3.49Å
170K90.5Very high94.7Very high199 Ų19940 Ų4087%0.86519%0.189SC*.THydrogen-bonded Turntrans-101.7-2.4178.4-63.9-177.8-178.3174.60113.1Y168Y168-K170 PolarHBondContact O-N 3.31Å
171K92.3Very high94.1Very high29 Ų2941.2 Ų41.213%0.12620%0.196CC..SBendtrans-100.2141.4-176.4-55.5-58.5-171.1173.50108.5D131 L139 F142 Y168D131-K171 IonicContact OD1-NZ 3.5Å; D131-K171 PolarHBondContact OD1-NZ 3.07Å; D131-K171 VanDerWaalsContact OD1-NZ 3.08Å; D131-K171 WeakPolarHBondContact OD2-CE 3.47Å; D131-K171 IonicContact OD2-NZ 3.91Å; D131-K171 PolarHBondContact OD2-NZ 3.28Å; L139-K171 HydrophobicContact CB-CD 4.5Å; L139-K171 HydrophobicContact CD2-CD 4.34Å; L139-K171 HydrophobicContact CD2-CG 4.45Å; L139-K171 HydrophobicContact CG-CD 4.3Å; L139-K171 WeakPolarHBondContact O-CD 3.47Å; L139-K171 PolarHBondContact O-NZ 2.88Å; F142-K171 HydrophobicContact CD2-CB 4.36Å; F142-K171 HydrophobicContact CE2-CB 4.05Å; F142-K171 HydrophobicContact CE2-CG 4.38Å; Y168-K171 HydrophobicContact CD1-CG 4.16Å; Y168-K171 HydrophobicContact CG-CG 4.37Å; Y168-K171 WeakPolarHBondContact O-CB 3.43Å; Y168-K171 PolarHBondContact O-N 2.98Å
172L93.5Very high92.9Very high30 Ų3042.3 Ų42.316%0.15720%0.201CC..EExtended strand (participates in β ladder)trans-74.8145.3178.5-70.3171.8000111.1K140 G141 F142 D207 L260 I261 I264K140-L172 PolarHBondContact O-N 2.87Å; G141-L172 CarbonylContact C-O 3.59Å; G141-L172 WeakPolarHBondContact CA-O 3.3Å; F142-L172 PolarHBondContact N-O 2.72Å; L172-D207 VanDerWaalsContact CA-OD2 3.24Å; L172-D207 WeakPolarHBondContact CA-OD2 3.38Å; L172-D207 HydrophobicContact CD2-CB 4.03Å; L172-L260 HydrophobicContact CB-CD2 4.17Å; L172-L260 HydrophobicContact CD1-CB 4.29Å; L172-L260 HydrophobicContact CD1-CD2 4.16Å; L172-L260 HydrophobicContact CD1-CG 3.95Å; L172-I261 HydrophobicContact CD1-CB 4.2Å; L172-I261 HydrophobicContact CD1-CG1 3.41Å; L172-I261 VanDerWaalsContact CD1-CG1 3.41Å; L172-I261 HydrophobicContact CG-CG1 4.39Å; L172-I264 HydrophobicContact CD1-CD1 4.11Å; L172-I264 HydrophobicContact CD2-CD1 4.39Å
173V96.4Very high91.5Very high4 Ų446.8 Ų46.82%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-119.1105.6173.1-178.20000108.8L161 T175 A206 D207 C208L161-V173 HydrophobicContact CD2-CG1 3.62Å; V173-T175 HydrophobicContact CG1-CG2 4.43Å; V173-A206 HydrophobicContact CG1-CB 4.48Å; V173-D207 PolarHBondContact N-OD2 3.37Å; V173-D207 PolarHBondContact O-N 2.75Å; V173-C208 PolarHBondContact O-N 2.9Å
174Q96.7Very high89.8Confident10 Ų1049.3 Ų49.35%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-102.1140.4170.6-177.3-177.23.400109.4F142 V143 L144 Y176 C208F142-Q174 PolarHBondContact O-N 3.08Å; V143-Q174 CarbonylContact C-O 3.59Å; V143-Q174 VanDerWaalsContact CA-O 3.24Å; V143-Q174 WeakPolarHBondContact CA-O 3.24Å; V143-Q174 HydrophobicContact CG2-CB 4.37Å; L144-Q174 PolarHBondContact N-O 2.83Å; Q174-Y176 PolarHBondContact NE2-OH 3.48Å; Q174-C208 CarbonylContact C-O 3.51Å; Q174-C208 VanDerWaalsContact CA-O 3.28Å; Q174-C208 WeakPolarHBondContact CA-O 3.39Å; Q174-C208 HydrophobicContact CG-CB 4.23Å
175T98.1Very high88Confident0 Ų058.3 Ų58.30%029%0.286CS..EExtended strand (participates in β ladder)trans-120.3145.5174.778.50000112L144 L161 V173 S177 L202 A206 C208 V209 V210L144-T175 HydrophobicContact CB-CG2 3.9Å; L144-T175 HydrophobicContact CD2-CG2 4.27Å; L144-T175 CarbonylContact O-C 3.5Å; L144-T175 VanDerWaalsContact O-CA 3.3Å; L144-T175 WeakPolarHBondContact O-CA 3.49Å; L161-T175 HydrophobicContact CD2-CG2 4.11Å; V173-T175 HydrophobicContact CG1-CG2 4.43Å; T175-S177 WeakPolarHBondContact CB-OG 3.4Å; T175-S177 PolarHBondContact OG1-OG 2.82Å; T175-L202 HydrophobicContact CG2-CD2 3.82Å; T175-A206 HydrophobicContact CG2-CB 4.05Å; T175-C208 PolarHBondContact N-O 3.33Å; T175-V209 WeakPolarHBondContact OG1-CG1 3.41Å; T175-V210 PolarHBondContact O-N 2.86Å
176Y98.1Very high86.6Confident1 Ų157.2 Ų57.20%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-105.895159.4-68.2-83.8000107V143 L144 H146 Q174 V210 L212 M243 S246V143-Y176 HydrophobicContact CG1-CD2 3.58Å; V143-Y176 HydrophobicContact CG1-CE2 3.61Å; L144-Y176 PolarHBondContact O-N 2.94Å; H146-Y176 PolarHBondContact N-O 3.02Å; Q174-Y176 PolarHBondContact NE2-OH 3.48Å; Y176-V210 HydrophobicContact CD1-CB 3.66Å; Y176-V210 HydrophobicContact CD1-CG1 3.78Å; Y176-V210 HydrophobicContact CD1-CG2 4.18Å; Y176-V210 HydrophobicContact CE1-CB 3.81Å; Y176-V210 HydrophobicContact CE1-CG1 3.83Å; Y176-V210 HydrophobicContact CE1-CG2 3.85Å; Y176-V210 HydrophobicContact CG-CB 4.47Å; Y176-L212 HydrophobicContact CD1-CD1 4.46Å; Y176-M243 HydrophobicContact CD1-CG 3.65Å; Y176-M243 HydrophobicContact CD2-CE 3.95Å; Y176-M243 HydrophobicContact CD2-CG 4.36Å; Y176-M243 HydrophobicContact CE1-CB 4.37Å; Y176-M243 HydrophobicContact CE1-CG 3.78Å; Y176-M243 HydrophobicContact CE2-CE 4.39Å; Y176-M243 HydrophobicContact CE2-CG 4.48Å; Y176-M243 HydrophobicContact CG-CE 4.16Å; Y176-M243 HydrophobicContact CG-CG 3.96Å; Y176-M243 HydrophobicContact CG-SD 4.34Å; Y176-S246 PolarHBondContact OH-OG 3.09Å
177S97.9Very high85.6Confident0 Ų059.7 Ų59.70%030%0.297CS..EExtended strand (participates in β ladder)trans-101.3116.4-172.1-59.30000109.8H146 T175 F179 V210 L212H146-S177 PolarHBondContact CD2-OG 3.32Å; H146-S177 PolarHBondContact NE2-OG 3.38Å; T175-S177 WeakPolarHBondContact CB-OG 3.4Å; T175-S177 PolarHBondContact OG1-OG 2.82Å; S177-F179 WeakPolarHBondContact O-CD2 3.09Å; S177-V210 PolarHBondContact N-O 2.83Å; S177-V210 VanDerWaalsContact N-O 3.09Å; S177-L212 PolarHBondContact O-N 2.96Å
178V96.2Very high85.1Confident3 Ų355.1 Ų55.12%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-84.9117.9178.8-178.70000110.3I17 H146 I148 L212 N214I17-V178 HydrophobicContact CD1-CG2 3.94Å; H146-V178 PolarHBondContact O-N 2.91Å; I148-V178 PolarHBondContact N-O 3.38Å; I148-V178 VanDerWaalsContact N-O 3.17Å; V178-L212 CarbonylContact C-O 3.52Å; V178-L212 WeakPolarHBondContact CA-O 3.45Å; V178-L212 HydrophobicContact CG2-CB 4.06Å; V178-L212 HydrophobicContact CG2-CD1 3.88Å; V178-N214 WeakPolarHBondContact CG1-ND2 3.2Å
179F94.6Very high84.8Confident0 Ų057.5 Ų57.50%030%0.3CS..EExtended strand (participates in β ladder)trans-86.3139.2175.9-80.2-123.8000109.6I148 S177 L199 V211 L212 N214 L394 F395I148-F179 HydrophobicContact CD1-CB 4.34Å; I148-F179 HydrophobicContact CD1-CD1 3.56Å; I148-F179 HydrophobicContact CD1-CD2 3.77Å; I148-F179 HydrophobicContact CD1-CE1 3.67Å; I148-F179 HydrophobicContact CD1-CE2 3.88Å; I148-F179 HydrophobicContact CD1-CG 3.62Å; I148-F179 HydrophobicContact CD1-CZ 3.84Å; I148-F179 HydrophobicContact CG1-CD2 4.48Å; I148-F179 HydrophobicContact CG1-CG 4.48Å; I148-F179 HydrophobicContact CG2-CE2 4.4Å; S177-F179 WeakPolarHBondContact O-CD2 3.09Å; F179-L199 HydrophobicContact CE1-CD2 4.2Å; F179-L199 HydrophobicContact CZ-CD2 3.79Å; F179-V211 HydrophobicContact CD2-CG1 3.7Å; F179-V211 HydrophobicContact CE2-CB 4.4Å; F179-V211 HydrophobicContact CE2-CG1 3.8Å; F179-V211 HydrophobicContact CE2-CG2 4.06Å; F179-V211 HydrophobicContact CG-CG1 4.1Å; F179-V211 HydrophobicContact CZ-CG1 4.26Å; F179-V211 HydrophobicContact CZ-CG2 4.33Å; F179-L212 PolarHBondContact N-O 2.8Å; F179-N214 WeakPolarHBondContact O-CB 3.33Å; F179-N214 PolarHBondContact O-N 3.24Å; F179-N214 PolarHBondContact O-ND2 3.45Å; F179-L394 HydrophobicContact CD1-CD1 4.18Å; F179-L394 HydrophobicContact CE1-CB 4.48Å; F179-L394 HydrophobicContact CE1-CD1 4.3Å; F179-F395 HydrophobicContact CE1-CD1 4.44Å; F179-F395 HydrophobicContact CE1-CE1 4.15Å; F179-F395 HydrophobicContact CZ-CE1 4.07Å
180P90.9Very high84.8Confident11 Ų1154.1 Ų54.17%0.07128%0.278CS..PPolyproline II helixtrans-67.4157.8-177.129.1-34.7000111.5A149 Q182 Q191A149-P180 HydrophobicContact CB-CB 3.74Å; A149-P180 HydrophobicContact CB-CG 3.86Å; P180-Q182 PolarHBondContact O-N 3.44Å; P180-Q191 HydrophobicContact CB-CG 4.02Å; P180-Q191 HydrophobicContact CG-CG 3.79Å
181N84.4Confident84.9Confident28 Ų2845.1 Ų45.115%0.1524%0.239CC..PPolyproline II helixtrans-66126.2170.4-168.61.1000109.1D183 E184 N214 T215N181-D183 PolarHBondContact OD1-N 2.95Å; N181-E184 PolarHBondContact ND2-OE2 3.3Å; N181-N214 HydrophobicContact CB-CB 4.33Å; N181-T215 WeakPolarHBondContact CA-OG1 3.27Å; N181-T215 PolarHBondContact OD1-OG1 2.94Å
182Q71.9Confident85Confident22 Ų2244.2 Ų44.210%0.10324%0.236CC..SBendtrans-97.8-14.5-176.5-62.5-175.2-15.300113.6P180 T215P180-Q182 PolarHBondContact O-N 3.44Å; Q182-T215 PolarHBondContact N-OG1 3.28Å
183D65.3Low85.1Confident127 Ų12742.8 Ų42.868%0.67923%0.228SC*.SBendtrans-89.6-22.3-176-69.8-19.2000112.9N181 T215N181-D183 PolarHBondContact OD1-N 2.95Å; D183-T215 HydrophobicContact CB-CG2 4.49Å; D183-T215 WeakPolarHBondContact OD2-CG2 3.49Å
184E60.6Low85.1Confident139 Ų13942.6 Ų42.665%0.6523%0.227SC*.SBendtrans-103144.1173.8-69.5171.5165.200109.4N181 S186N181-E184 PolarHBondContact ND2-OE2 3.3Å; E184-S186 PolarHBondContact O-N 3.05Å
185M55.7Low85Confident189 Ų18942.1 Ų42.193%0.93123%0.225SC*.  trans-61.5105.7168.9-75.2-176.382.400107.6D187M185-D187 PolarHBondContact O-N 3.19Å
186S65.3Low85Confident45 Ų4542.1 Ų42.132%0.31523%0.225SC..  trans-53.1130.5170.9164.70000109.1E184 V188E184-S186 PolarHBondContact O-N 3.05Å; S186-V188 PolarHBondContact O-N 3.4Å; S186-V188 PolarHBondContact OG-N 2.55Å; S186-V188 VanDerWaalsContact OG-N 3.16Å; S186-V188 PolarHBondContact OG-O 3.19Å
187D72.3Confident85Confident168 Ų16842 Ų4290%0.89823%0.225SC*.SBendtrans-55.2-23.8173.1-67.4-33.9000111.7M185 V189M185-D187 PolarHBondContact O-N 3.19Å; D187-V189 PolarHBondContact O-N 3.3Å
188V82.3Confident85Confident29 Ų2942 Ų4218%0.17623%0.225CC..  trans-88.9102.2174.9-174.50000110.4N102 S186 V190 Q191N102-V188 HydrophobicContact CB-CG1 3.72Å; N102-V188 HydrophobicContact CB-CG2 4.24Å; S186-V188 PolarHBondContact O-N 3.4Å; S186-V188 PolarHBondContact OG-N 2.55Å; S186-V188 VanDerWaalsContact OG-N 3.16Å; S186-V188 PolarHBondContact OG-O 3.19Å; V188-V190 VanDerWaalsContact C-N 3.3Å; V188-V190 HydrophobicContact CG1-CG2 3.75Å; V188-V190 PolarHBondContact O-N 2.55Å; V188-Q191 HydrophobicContact CB-CB 4.33Å; V188-Q191 HydrophobicContact CG1-CB 4.25Å; V188-Q191 VanDerWaalsContact O-CB 3.28Å; V188-Q191 WeakPolarHBondContact O-CB 3.27Å; V188-Q191 PolarHBondContact O-N 3.41Å
189V86.9Confident85.1Confident81 Ų8141.9 Ų41.949%0.49122%0.224SC..THydrogen-bonded Turntrans-67.8-24.9-179.8-61.40000114.2D187 F411D187-V189 PolarHBondContact O-N 3.3Å; V189-F411 HydrophobicContact CB-CD2 4.39Å; V189-F411 HydrophobicContact CB-CE2 4.05Å; V189-F411 HydrophobicContact CB-CZ 4.15Å; V189-F411 HydrophobicContact CG2-CD1 4.03Å; V189-F411 HydrophobicContact CG2-CD2 4.2Å; V189-F411 HydrophobicContact CG2-CE1 4Å; V189-F411 HydrophobicContact CG2-CE2 4.17Å; V189-F411 HydrophobicContact CG2-CG 4.13Å; V189-F411 HydrophobicContact CG2-CZ 4.08Å
190V91.1Very high85.2Confident21 Ų2142.5 Ų42.513%0.12723%0.227CC..THydrogen-bonded Turntrans-90.43.5179.6-63.90000113.6N102 V188 P192 Y193 N194 F411 F415N102-V190 WeakPolarHBondContact O-CG2 3.45Å; V188-V190 VanDerWaalsContact C-N 3.3Å; V188-V190 HydrophobicContact CG1-CG2 3.75Å; V188-V190 PolarHBondContact O-N 2.55Å; V190-P192 VanDerWaalsContact C-CD 3.42Å; V190-P192 VanDerWaalsContact C-N 3.3Å; V190-P192 VanDerWaalsContact O-N 3.17Å; V190-Y193 HydrophobicContact CB-CD2 4.33Å; V190-Y193 WeakPolarHBondContact O-CB 3.22Å; V190-Y193 PolarHBondContact O-N 3.43Å; V190-N194 PolarHBondContact O-N 3.11Å; V190-F411 HydrophobicContact CG1-CB 3.71Å; V190-F411 HydrophobicContact CG1-CG 4.41Å; V190-F415 HydrophobicContact CB-CE2 4.07Å; V190-F415 HydrophobicContact CB-CZ 4.35Å; V190-F415 HydrophobicContact CG1-CE2 4Å
191Q92.8Very high85.6Confident10 Ų1042.4 Ų42.45%0.04723%0.225CC..Hα-helixtrans-49.7-41.1-178.1165.4-86.4-49.300114A149 P180 V188 Y193 N194 S195A149-Q191 HydrophobicContact CB-CB 4.41Å; A149-Q191 HydrophobicContact CB-CG 3.58Å; P180-Q191 HydrophobicContact CB-CG 4.02Å; P180-Q191 HydrophobicContact CG-CG 3.79Å; V188-Q191 HydrophobicContact CB-CB 4.33Å; V188-Q191 HydrophobicContact CG1-CB 4.25Å; V188-Q191 VanDerWaalsContact O-CB 3.28Å; V188-Q191 WeakPolarHBondContact O-CB 3.27Å; V188-Q191 PolarHBondContact O-N 3.41Å; Q191-Y193 VanDerWaalsContact C-N 3.33Å; Q191-Y193 PolarHBondContact O-N 2.8Å; Q191-N194 PolarHBondContact O-N 2.85Å; Q191-S195 PolarHBondContact NE2-OG 2.99Å; Q191-S195 WeakPolarHBondContact O-CB 3.49Å; Q191-S195 PolarHBondContact O-N 2.99Å; Q191-S195 PolarHBondContact O-OG 3.39Å
192P94.4Very high86.2Confident10 Ų1041 Ų417%0.06522%0.218CC..Hα-helixtrans-63.3-35.3179.1-25.836.7000113.7V190 L196 Q401 L405V190-P192 VanDerWaalsContact C-CD 3.42Å; V190-P192 VanDerWaalsContact C-N 3.3Å; V190-P192 VanDerWaalsContact O-N 3.17Å; P192-L196 WeakPolarHBondContact O-CB 3.35Å; P192-L196 PolarHBondContact O-N 3.26Å; P192-L196 VanDerWaalsContact O-N 3.08Å; P192-Q401 HydrophobicContact CB-CB 3.96Å; P192-Q401 HydrophobicContact CG-CB 3.89Å; P192-L405 HydrophobicContact CB-CD1 4.08Å; P192-L405 HydrophobicContact CG-CD1 3.78Å
193Y95.6Very high87.4Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-65.8-50.5175.3-66.3-60.2000111V190 Q191 S195 L196 L197 Y402 L405 R406 A410 L412 F415 L428V190-Y193 HydrophobicContact CB-CD2 4.33Å; V190-Y193 WeakPolarHBondContact O-CB 3.22Å; V190-Y193 PolarHBondContact O-N 3.43Å; Q191-Y193 VanDerWaalsContact C-N 3.33Å; Q191-Y193 PolarHBondContact O-N 2.8Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 2.9Å; Y193-L196 PolarHBondContact O-N 3.44Å; Y193-L197 WeakPolarHBondContact O-CD1 3.43Å; Y193-L197 WeakPolarHBondContact O-CG 3.31Å; Y193-L197 PolarHBondContact O-N 3.06Å; Y193-L197 VanDerWaalsContact O-N 3.09Å; Y193-Y402 AromaticContact CD1-CD2 3.48Å; Y193-Y402 HydrophobicContact CD1-CD2 3.48Å; Y193-Y402 VanDerWaalsContact CD1-CD2 3.48Å; Y193-Y402 AromaticContact CD1-CE2 3.51Å; Y193-Y402 HydrophobicContact CD1-CE2 3.51Å; Y193-Y402 AromaticContact CE1-CD2 3.7Å; Y193-Y402 HydrophobicContact CE1-CD2 3.7Å; Y193-Y402 AromaticContact CE1-CE2 3.59Å; Y193-Y402 HydrophobicContact CE1-CE2 3.59Å; Y193-L405 HydrophobicContact CD2-CD1 4.35Å; Y193-L405 HydrophobicContact CE1-CB 4.45Å; Y193-L405 HydrophobicContact CE2-CB 4.03Å; Y193-L405 HydrophobicContact CE2-CD1 4.01Å; Y193-L405 WeakPolarHBondContact OH-CB 2.94Å; Y193-R406 HydrophobicContact CE1-CB 4.43Å; Y193-R406 PolarHBondContact OH-N 3.34Å; Y193-A410 VanDerWaalsContact CE2-O 3.25Å; Y193-A410 WeakPolarHBondContact CE2-O 3.47Å; Y193-A410 PolarHBondContact OH-O 3.48Å; Y193-L412 HydrophobicContact CE1-CD2 3.9Å; Y193-L412 HydrophobicContact CE2-CD2 4.09Å; Y193-F415 HydrophobicContact CD2-CE2 4.16Å; Y193-F415 HydrophobicContact CD2-CZ 4.45Å; Y193-F415 HydrophobicContact CG-CE2 4.49Å; Y193-F415 HydrophobicContact CG-CZ 4.4Å; Y193-L428 HydrophobicContact CD1-CD1 4.1Å; Y193-L428 HydrophobicContact CD1-CD2 4Å; Y193-L428 HydrophobicContact CE1-CD1 4.24Å
194N95.7Very high88.9Confident0 Ų039.5 Ų39.50%021%0.207CC..Hα-helixtrans-57.3-46.6178.4-61.9-13.4000111.2N102 W104 I148 A149 G150 V190 Q191 L196 L197 T198N102-N194 PolarHBondContact O-ND2 3.17Å; W104-N194 HydrophobicContact CB-CB 4.15Å; W104-N194 VanDerWaalsContact CB-OD1 3.26Å; W104-N194 WeakPolarHBondContact CB-OD1 3.46Å; W104-N194 PolarHBondContact N-OD1 3.22Å; I148-N194 CarbonylContact O-C 3.54Å; A149-N194 PolarHBondContact O-ND2 3.36Å; G150-N194 PolarHBondContact O-ND2 3.08Å; V190-N194 PolarHBondContact O-N 3.11Å; Q191-N194 PolarHBondContact O-N 2.85Å; N194-L196 PolarHBondContact O-N 3.28Å; N194-L197 PolarHBondContact O-N 3.42Å; N194-T198 WeakPolarHBondContact O-CB 3.3Å; N194-T198 PolarHBondContact O-N 2.89Å; N194-T198 PolarHBondContact O-OG1 3.23Å
195S96.2Very high90.6Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-63-43.6-177.9-55.30000111.5I148 Q191 Y193 L199I148-S195 VanDerWaalsContact O-CA 3.31Å; I148-S195 WeakPolarHBondContact O-CA 3.48Å; I148-S195 PolarHBondContact O-N 3.21Å; Q191-S195 PolarHBondContact NE2-OG 2.99Å; Q191-S195 WeakPolarHBondContact O-CB 3.49Å; Q191-S195 PolarHBondContact O-N 2.99Å; Q191-S195 PolarHBondContact O-OG 3.39Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 2.9Å; S195-L199 WeakPolarHBondContact O-CB 3.2Å; S195-L199 WeakPolarHBondContact O-CG 3.28Å; S195-L199 PolarHBondContact O-N 3.1Å
196L97.3Very high92.6Very high0 Ų025.4 Ų25.40%014%0.142CC..Hα-helixtrans-65.4-46.2-179.7-171.978000112.1P192 Y193 N194 T198 L199 K200 Y402 R432 V435P192-L196 WeakPolarHBondContact O-CB 3.35Å; P192-L196 PolarHBondContact O-N 3.26Å; P192-L196 VanDerWaalsContact O-N 3.08Å; Y193-L196 PolarHBondContact O-N 3.44Å; N194-L196 PolarHBondContact O-N 3.28Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.49Å; L196-L199 PolarHBondContact O-N 3.21Å; L196-K200 PolarHBondContact O-N 3.37Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L196-Y402 HydrophobicContact CB-CD2 4.45Å; L196-Y402 HydrophobicContact CD2-CD1 3.83Å; L196-Y402 HydrophobicContact CD2-CD2 3.47Å; L196-Y402 VanDerWaalsContact CD2-CD2 3.47Å; L196-Y402 HydrophobicContact CD2-CE1 3.94Å; L196-Y402 HydrophobicContact CD2-CE2 3.57Å; L196-Y402 HydrophobicContact CD2-CG 3.6Å; L196-R432 HydrophobicContact CD2-CB 3.91Å; L196-V435 HydrophobicContact CD1-CB 3.96Å; L196-V435 HydrophobicContact CD1-CG1 4.21Å; L196-V435 HydrophobicContact CD1-CG2 3.88Å
197L97.7Very high94Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-61.1-42.6178.8-74.4160.5000111.6W104 Y193 N194 K200 F415 F421 E427 L428W104-L197 HydrophobicContact CB-CD1 4.15Å; W104-L197 HydrophobicContact CD2-CB 3.79Å; W104-L197 HydrophobicContact CD2-CD1 3.66Å; W104-L197 HydrophobicContact CD2-CG 4.22Å; W104-L197 HydrophobicContact CE3-CB 4.37Å; W104-L197 HydrophobicContact CE3-CD1 3.59Å; W104-L197 HydrophobicContact CE3-CD2 4.39Å; W104-L197 HydrophobicContact CE3-CG 4.34Å; W104-L197 HydrophobicContact CG-CB 3.96Å; W104-L197 HydrophobicContact CG-CD1 3.88Å; W104-L197 HydrophobicContact CH2-CD2 4.32Å; W104-L197 HydrophobicContact CZ2-CB 4.1Å; W104-L197 HydrophobicContact CZ3-CD1 4.23Å; W104-L197 HydrophobicContact CZ3-CD2 4.25Å; Y193-L197 WeakPolarHBondContact O-CD1 3.43Å; Y193-L197 WeakPolarHBondContact O-CG 3.31Å; Y193-L197 PolarHBondContact O-N 3.06Å; Y193-L197 VanDerWaalsContact O-N 3.09Å; N194-L197 PolarHBondContact O-N 3.42Å; L197-K200 PolarHBondContact O-N 2.81Å; L197-F415 HydrophobicContact CD1-CE1 4.2Å; L197-F421 HydrophobicContact CD1-CE2 4.4Å; L197-F421 HydrophobicContact CD1-CZ 3.98Å; L197-F421 HydrophobicContact CD2-CZ 3.99Å; L197-E427 HydrophobicContact CD2-CG 3.89Å; L197-L428 HydrophobicContact CD1-CD2 3.59Å; L197-L428 HydrophobicContact CD2-CD2 3.91Å; L197-L428 HydrophobicContact CG-CD2 3.71Å
198T98.1Very high95.2Very high0 Ų018.5 Ų18.50%010%0.101CC..Hα-helixtrans-68.2-38.3174.8-62.40000112.6I148 S154 S158 N194 L196 K200 R201 L202I148-T198 HydrophobicContact CB-CG2 4.02Å; I148-T198 HydrophobicContact CG2-CG2 3.88Å; S154-T198 VanDerWaalsContact CA-OG1 3.28Å; S154-T198 WeakPolarHBondContact CA-OG1 3.24Å; S154-T198 WeakPolarHBondContact CB-OG1 3.46Å; S154-T198 PolarHBondContact O-OG1 3.48Å; S158-T198 WeakPolarHBondContact OG-CA 3.28Å; S158-T198 PolarHBondContact OG-OG1 3.26Å; N194-T198 WeakPolarHBondContact O-CB 3.3Å; N194-T198 PolarHBondContact O-N 2.89Å; N194-T198 PolarHBondContact O-OG1 3.23Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.49Å; T198-K200 VanDerWaalsContact C-N 3.3Å; T198-K200 PolarHBondContact O-N 2.9Å; T198-R201 PolarHBondContact O-N 2.82Å; T198-R201 VanDerWaalsContact O-N 3.09Å; T198-L202 HydrophobicContact CG2-CD1 4.05Å; T198-L202 HydrophobicContact CG2-CG 4.19Å; T198-L202 WeakPolarHBondContact O-CG 3.24Å; T198-L202 PolarHBondContact O-N 2.95Å
199L98Very high95.9Very high0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-60.5-37176.8-80.5170.9000112.5F179 S195 L196 R201 L202 T203 F275 F395 T398 V435F179-L199 HydrophobicContact CE1-CD2 4.2Å; F179-L199 HydrophobicContact CZ-CD2 3.79Å; S195-L199 WeakPolarHBondContact O-CB 3.2Å; S195-L199 WeakPolarHBondContact O-CG 3.28Å; S195-L199 PolarHBondContact O-N 3.1Å; L196-L199 PolarHBondContact O-N 3.21Å; L199-R201 VanDerWaalsContact C-N 3.32Å; L199-R201 PolarHBondContact O-N 2.75Å; L199-L202 HydrophobicContact CD2-CD1 4.45Å; L199-L202 PolarHBondContact O-N 2.88Å; L199-T203 WeakPolarHBondContact O-CB 3.49Å; L199-T203 PolarHBondContact O-N 3.07Å; L199-T203 PolarHBondContact O-OG1 2.88Å; L199-F275 HydrophobicContact CD2-CE1 4.11Å; L199-F275 HydrophobicContact CD2-CZ 4.43Å; L199-F395 HydrophobicContact CD1-CD1 4.15Å; L199-F395 HydrophobicContact CD2-CD1 3.9Å; L199-F395 HydrophobicContact CD2-CE1 3.84Å; L199-T398 HydrophobicContact CD1-CG2 3.95Å; L199-V435 HydrophobicContact CB-CG2 3.73Å; L199-V435 HydrophobicContact CD1-CG1 4.42Å
200K97.8Very high96.4Very high13 Ų1313.3 Ų13.36%0.0577%0.07CC..Hα-helixtrans-55.7-47.5172.4171174.5156.4-170.20111.1L196 L197 T198 T203 Q204 E427 N430 S431 V434L196-K200 PolarHBondContact O-N 3.37Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L197-K200 PolarHBondContact O-N 2.81Å; T198-K200 VanDerWaalsContact C-N 3.3Å; T198-K200 PolarHBondContact O-N 2.9Å; K200-T203 WeakPolarHBondContact O-CB 3.28Å; K200-T203 PolarHBondContact O-N 2.8Å; K200-Q204 WeakPolarHBondContact O-CG 3.14Å; K200-Q204 PolarHBondContact O-N 3.3Å; K200-Q204 VanDerWaalsContact O-N 3.08Å; K200-E427 VanDerWaalsContact NZ-CD 3.26Å; K200-E427 IonicContact NZ-OE1 3.4Å; K200-E427 PolarHBondContact NZ-OE1 2.84Å; K200-E427 IonicContact NZ-OE2 3.41Å; K200-E427 PolarHBondContact NZ-OE2 3.38Å; K200-N430 VanDerWaalsContact CE-OD1 3.3Å; K200-N430 WeakPolarHBondContact CE-OD1 3.26Å; K200-N430 PolarHBondContact NZ-OD1 3.06Å; K200-S431 WeakPolarHBondContact CD-OG 3.34Å; K200-V434 HydrophobicContact CD-CG2 4.31Å; K200-V434 HydrophobicContact CG-CB 4.28Å; K200-V434 HydrophobicContact CG-CG1 4.2Å; K200-V434 HydrophobicContact CG-CG2 4.33Å
201R97.8Very high96.7Very high8 Ų812.3 Ų12.33%0.036%0.063CC..Hα-helixtrans-70.8-39.1-179.4-58.1-40.9-172.9-95.515.2113.3L161 E162 T198 L199 T203 Q204 N205 E427L161-R201 HydrophobicContact CB-CB 4.47Å; L161-R201 HydrophobicContact CD1-CB 4.07Å; E162-R201 IonicContact OE1-CZ 3.34Å; E162-R201 IonicContact OE1-NE 2.8Å; E162-R201 PolarHBondContact OE1-NE 2.9Å; E162-R201 IonicContact OE1-NH2 3.3Å; E162-R201 PolarHBondContact OE1-NH2 3.34Å; T198-R201 PolarHBondContact O-N 2.82Å; T198-R201 VanDerWaalsContact O-N 3.09Å; L199-R201 VanDerWaalsContact C-N 3.32Å; L199-R201 PolarHBondContact O-N 2.75Å; R201-T203 PolarHBondContact O-N 3.4Å; R201-Q204 PolarHBondContact O-N 3.37Å; R201-N205 WeakPolarHBondContact O-CA 3.14Å; R201-N205 VanDerWaalsContact O-CB 3.28Å; R201-N205 WeakPolarHBondContact O-CB 3.35Å; R201-N205 PolarHBondContact O-N 2.81Å; R201-N205 PolarHBondContact O-OD1 2.86Å; R201-E427 IonicContact CZ-OE1 3Å; R201-E427 IonicContact NH1-OE1 2.97Å; R201-E427 PolarHBondContact NH1-OE1 2.95Å; R201-E427 IonicContact NH2-OE1 2.78Å; R201-E427 PolarHBondContact NH2-OE1 3.23Å
202L98.1Very high96.9Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-57.9-41.3171.8-70.2174.9000110.7I148 L161 T175 T198 L199 Q204 A206 V209 H274 F275I148-L202 HydrophobicContact CG2-CD1 3.9Å; L161-L202 HydrophobicContact CD1-CD2 3.84Å; L161-L202 HydrophobicContact CD1-CG 4.42Å; T175-L202 HydrophobicContact CG2-CD2 3.82Å; T198-L202 HydrophobicContact CG2-CD1 4.05Å; T198-L202 HydrophobicContact CG2-CG 4.19Å; T198-L202 WeakPolarHBondContact O-CG 3.24Å; T198-L202 PolarHBondContact O-N 2.95Å; L199-L202 HydrophobicContact CD2-CD1 4.45Å; L199-L202 PolarHBondContact O-N 2.88Å; L202-Q204 PolarHBondContact O-N 3.11Å; L202-A206 WeakPolarHBondContact O-CB 3.29Å; L202-A206 PolarHBondContact O-N 2.95Å; L202-V209 HydrophobicContact CB-CG2 4.09Å; L202-V209 HydrophobicContact CD1-CG1 4.44Å; L202-V209 HydrophobicContact CD2-CG2 4.01Å; L202-H274 PolarHBondContact O-CE1 3.25Å; L202-H274 PolarHBondContact O-NE2 3.48Å; L202-F275 HydrophobicContact CB-CE1 4.26Å; L202-F275 HydrophobicContact CB-CZ 4.1Å
203T97.3Very high96.9Very high14 Ų1411.4 Ų11.49%0.0866%0.059CC..Hα-helixtrans-68.8-32.4179.8-52.30000113.6L199 K200 R201 H274 V434 L438L199-T203 WeakPolarHBondContact O-CB 3.49Å; L199-T203 PolarHBondContact O-N 3.07Å; L199-T203 PolarHBondContact O-OG1 2.88Å; K200-T203 WeakPolarHBondContact O-CB 3.28Å; K200-T203 PolarHBondContact O-N 2.8Å; R201-T203 PolarHBondContact O-N 3.4Å; T203-H274 PolarHBondContact O-CE1 3.27Å; T203-V434 HydrophobicContact CG2-CG1 4.22Å; T203-L438 HydrophobicContact CG2-CB 4.39Å; T203-L438 HydrophobicContact CG2-CD1 4.11Å; T203-L438 HydrophobicContact CG2-CD2 4.14Å; T203-L438 HydrophobicContact CG2-CG 4.44Å
204Q96.1Very high96.7Very high103 Ų10312.5 Ų12.548%0.4816%0.064SC..Hα-helixtrans-102.8-26.9-171.3-68.5-179.5-38.800114K200 R201 L202 V434K200-Q204 WeakPolarHBondContact O-CG 3.14Å; K200-Q204 PolarHBondContact O-N 3.3Å; K200-Q204 VanDerWaalsContact O-N 3.08Å; R201-Q204 PolarHBondContact O-N 3.37Å; L202-Q204 PolarHBondContact O-N 3.11Å; Q204-V434 HydrophobicContact CG-CG1 4.31Å
205N96.7Very high96.4Very high22 Ų2212.9 Ų12.912%0.1187%0.067CC..Hα-helixtrans-124.30.7-166.4-56.395.2000113.8L161 R201L161-N205 HydrophobicContact CB-CB 4Å; R201-N205 WeakPolarHBondContact O-CA 3.14Å; R201-N205 VanDerWaalsContact O-CB 3.28Å; R201-N205 WeakPolarHBondContact O-CB 3.35Å; R201-N205 PolarHBondContact O-N 2.81Å; R201-N205 PolarHBondContact O-OD1 2.86Å
206A96.8Very high96.2Very high10 Ų1012.9 Ų12.98%0.0837%0.067CC..  trans-113.4143.3173.700000111.2V173 T175 L202 V209 H274V173-A206 HydrophobicContact CG1-CB 4.48Å; T175-A206 HydrophobicContact CG2-CB 4.05Å; L202-A206 WeakPolarHBondContact O-CB 3.29Å; L202-A206 PolarHBondContact O-N 2.95Å; A206-V209 HydrophobicContact CB-CG2 3.9Å; A206-H274 PolarHBondContact O-CE1 3.21Å
207D95.9Very high95.9Very high66 Ų6612.9 Ų12.935%0.3537%0.067SC..SBendtrans-83.7-28.4175.4-63.4-70.5000112.1L172 V173 I264 I268 H274L172-D207 VanDerWaalsContact CA-OD2 3.24Å; L172-D207 WeakPolarHBondContact CA-OD2 3.38Å; L172-D207 HydrophobicContact CD2-CB 4.03Å; V173-D207 PolarHBondContact N-OD2 3.37Å; V173-D207 PolarHBondContact O-N 2.75Å; D207-I264 HydrophobicContact CB-CD1 4.34Å; D207-I268 WeakPolarHBondContact O-CD1 3.1Å; D207-H274 WeakPolarHBondContact O-CB 3.49Å
208C96.5Very high95.5Very high2 Ų214.6 Ų14.61%0.0148%0.076CC..EExtended strand (participates in β ladder)trans-155.6126.5-177.9175.90000111.4V173 Q174 T175 I264 I268 L276V173-C208 PolarHBondContact O-N 2.9Å; Q174-C208 CarbonylContact C-O 3.51Å; Q174-C208 VanDerWaalsContact CA-O 3.28Å; Q174-C208 WeakPolarHBondContact CA-O 3.39Å; Q174-C208 HydrophobicContact CG-CB 4.23Å; T175-C208 PolarHBondContact N-O 3.33Å; C208-I264 HydrophobicContact CB-CD1 3.66Å; C208-I264 HydrophobicContact CB-CG1 3.8Å; C208-I268 HydrophobicContact CB-CD1 3.68Å; C208-L276 WeakPolarHBondContact SG-CD1 3.38Å
209V98Very high95.1Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans-115.9113179178.30000109.4T175 L202 A206 V211 H274 F275 L276T175-V209 WeakPolarHBondContact OG1-CG1 3.41Å; L202-V209 HydrophobicContact CB-CG2 4.09Å; L202-V209 HydrophobicContact CD1-CG1 4.44Å; L202-V209 HydrophobicContact CD2-CG2 4.01Å; A206-V209 HydrophobicContact CB-CG2 3.9Å; V209-V211 HydrophobicContact CG1-CG2 4.22Å; V209-H274 PolarHBondContact N-O 2.79Å; V209-F275 HydrophobicContact CB-CD1 3.74Å; V209-F275 HydrophobicContact CB-CE1 3.97Å; V209-F275 HydrophobicContact CB-CG 4.26Å; V209-F275 HydrophobicContact CG1-CD1 3.6Å; V209-F275 HydrophobicContact CG1-CE1 3.76Å; V209-F275 HydrophobicContact CG2-CD1 4.34Å; V209-F275 HydrophobicContact CG2-CE1 4.1Å; V209-F275 HydrophobicContact CG2-CZ 4.4Å; V209-F275 WeakPolarHBondContact O-CA 3.42Å; V209-L276 PolarHBondContact O-N 2.94Å
210V97.9Very high94.7Very high0 Ų019.1 Ų19.10%09%0.093CC..EExtended strand (participates in β ladder)trans-86.2111.8170.3-176.80000108.2T175 Y176 S177 T278 M385T175-V210 PolarHBondContact O-N 2.86Å; Y176-V210 HydrophobicContact CD1-CB 3.66Å; Y176-V210 HydrophobicContact CD1-CG1 3.78Å; Y176-V210 HydrophobicContact CD1-CG2 4.18Å; Y176-V210 HydrophobicContact CE1-CB 3.81Å; Y176-V210 HydrophobicContact CE1-CG1 3.83Å; Y176-V210 HydrophobicContact CE1-CG2 3.85Å; Y176-V210 HydrophobicContact CG-CB 4.47Å; S177-V210 PolarHBondContact N-O 2.83Å; S177-V210 VanDerWaalsContact N-O 3.09Å; V210-T278 HydrophobicContact CG1-CG2 3.64Å; V210-M385 HydrophobicContact CG2-CE 4.14Å
211V97.1Very high94.3Very high0 Ų018.5 Ų18.50%09%0.09CC..EExtended strand (participates in β ladder)trans-81.9121.7-177.2178.10000110F179 V209 F275 L276 V312 I391 L394F179-V211 HydrophobicContact CD2-CG1 3.7Å; F179-V211 HydrophobicContact CE2-CB 4.4Å; F179-V211 HydrophobicContact CE2-CG1 3.8Å; F179-V211 HydrophobicContact CE2-CG2 4.06Å; F179-V211 HydrophobicContact CG-CG1 4.1Å; F179-V211 HydrophobicContact CZ-CG1 4.26Å; F179-V211 HydrophobicContact CZ-CG2 4.33Å; V209-V211 HydrophobicContact CG1-CG2 4.22Å; V211-F275 HydrophobicContact CG2-CB 4.19Å; V211-F275 HydrophobicContact CG2-CD1 3.9Å; V211-L276 PolarHBondContact N-O 2.82Å; V211-V312 HydrophobicContact CB-CG2 4.48Å; V211-V312 HydrophobicContact CG1-CG1 4.43Å; V211-V312 HydrophobicContact CG1-CG2 4.3Å; V211-I391 HydrophobicContact CB-CD1 4.26Å; V211-I391 HydrophobicContact CG1-CD1 4.21Å; V211-I391 HydrophobicContact CG2-CD1 4.09Å; V211-I391 HydrophobicContact CG2-CG1 4.44Å; V211-L394 HydrophobicContact CG1-CD1 3.99Å
212L95.6Very high93.8Very high1 Ų121.1 Ų21.11%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-110.6100.8174.3-60.9172.4000108.9Y176 S177 V178 F179 V239 I242Y176-L212 HydrophobicContact CD1-CD1 4.46Å; S177-L212 PolarHBondContact O-N 2.96Å; V178-L212 CarbonylContact C-O 3.52Å; V178-L212 WeakPolarHBondContact CA-O 3.45Å; V178-L212 HydrophobicContact CG2-CB 4.06Å; V178-L212 HydrophobicContact CG2-CD1 3.88Å; F179-L212 PolarHBondContact N-O 2.8Å; L212-V239 HydrophobicContact CD1-CG1 3.52Å; L212-V239 HydrophobicContact CD1-CG2 4.38Å; L212-V239 HydrophobicContact CD2-CG1 4.45Å; L212-I242 HydrophobicContact CD2-CD1 4.29Å
213D94.2Very high93.2Very high1 Ų125.7 Ų25.71%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-92.1111.7-175.617122.5000111.7T215 A216 L217 V312 S313D213-T215 PolarHBondContact O-N 3.04Å; D213-T215 WeakPolarHBondContact OD1-CB 3.42Å; D213-T215 PolarHBondContact OD1-N 2.75Å; D213-A216 HydrophobicContact CB-CB 4.17Å; D213-A216 PolarHBondContact O-N 3.3Å; D213-A216 VanDerWaalsContact O-N 3.11Å; D213-A216 WeakPolarHBondContact OD2-CB 3.24Å; D213-A216 PolarHBondContact OD2-N 3.43Å; D213-L217 VanDerWaalsContact O-CG 3.31Å; D213-L217 WeakPolarHBondContact O-CG 3.28Å; D213-L217 PolarHBondContact O-N 3.32Å; D213-V312 HydrophobicContact CB-CG1 4.28Å; D213-S313 WeakPolarHBondContact OD2-CA 3.45Å; D213-S313 WeakPolarHBondContact OD2-CB 3.35Å; D213-S313 PolarHBondContact OD2-N 3.03Å; D213-S313 PolarHBondContact OD2-OG 3.06Å
214N91.8Very high92.4Very high23 Ų2328.3 Ų28.312%0.12314%0.14CC..Hα-helixtrans-59.6-30.9178.2-80.9-20.3000112.9V178 F179 N181 L217 N218V178-N214 WeakPolarHBondContact CG1-ND2 3.2Å; F179-N214 WeakPolarHBondContact O-CB 3.33Å; F179-N214 PolarHBondContact O-N 3.24Å; F179-N214 PolarHBondContact O-ND2 3.45Å; N181-N214 HydrophobicContact CB-CB 4.33Å; N214-L217 PolarHBondContact O-N 2.99Å; N214-N218 VanDerWaalsContact O-CB 3.28Å; N214-N218 WeakPolarHBondContact O-CB 3.26Å; N214-N218 PolarHBondContact O-N 3.21Å; N214-N218 PolarHBondContact O-ND2 3.3Å
215T90.8Very high91.7Very high8 Ų824.7 Ų24.75%0.04912%0.124CC..Hα-helixtrans-63.3-46.5175.4-61.50000110.8N181 Q182 D183 D213 R219N181-T215 WeakPolarHBondContact CA-OG1 3.27Å; N181-T215 PolarHBondContact OD1-OG1 2.94Å; Q182-T215 PolarHBondContact N-OG1 3.28Å; D183-T215 HydrophobicContact CB-CG2 4.49Å; D183-T215 WeakPolarHBondContact OD2-CG2 3.49Å; D213-T215 PolarHBondContact O-N 3.04Å; D213-T215 WeakPolarHBondContact OD1-CB 3.42Å; D213-T215 PolarHBondContact OD1-N 2.75Å; T215-R219 WeakPolarHBondContact O-CB 3.47Å; T215-R219 PolarHBondContact O-N 2.8Å
216A91.3Very high91.2Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-69.1-39.217800000112.8D213 R219 I220 M311 S313D213-A216 HydrophobicContact CB-CB 4.17Å; D213-A216 PolarHBondContact O-N 3.3Å; D213-A216 VanDerWaalsContact O-N 3.11Å; D213-A216 WeakPolarHBondContact OD2-CB 3.24Å; D213-A216 PolarHBondContact OD2-N 3.43Å; A216-R219 PolarHBondContact O-N 2.86Å; A216-I220 WeakPolarHBondContact O-CB 3.33Å; A216-I220 VanDerWaalsContact O-CG1 3.29Å; A216-I220 WeakPolarHBondContact O-CG1 3.49Å; A216-I220 PolarHBondContact O-N 2.79Å; A216-M311 VanDerWaalsContact CB-O 3.3Å; A216-M311 WeakPolarHBondContact CB-O 3.36Å; A216-S313 WeakPolarHBondContact CA-OG 3.09Å; A216-S313 WeakPolarHBondContact CB-OG 3.18Å; A216-S313 PolarHBondContact N-OG 2.96Å
217L91.4Very high90.7Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-64.6-44.1178.6-68.4168.7000111.4D213 N214 I220 A221 I235 L238 V239 I242 M311D213-L217 VanDerWaalsContact O-CG 3.31Å; D213-L217 WeakPolarHBondContact O-CG 3.28Å; D213-L217 PolarHBondContact O-N 3.32Å; N214-L217 PolarHBondContact O-N 2.99Å; L217-I220 PolarHBondContact O-N 3.32Å; L217-A221 PolarHBondContact O-N 3.15Å; L217-I235 HydrophobicContact CB-CG2 4.01Å; L217-I235 HydrophobicContact CD1-CG2 3.98Å; L217-L238 HydrophobicContact CD2-CB 4.32Å; L217-V239 HydrophobicContact CD1-CG2 3.63Å; L217-I242 HydrophobicContact CD2-CD1 4.28Å; L217-M311 HydrophobicContact CD2-CB 4.42Å; L217-M311 HydrophobicContact CD2-CG 4.32Å
218N89.6Confident89.9Confident35 Ų3537.2 Ų37.219%0.18718%0.178CC..Hα-helixtrans-59.7-47.8173.2-82.7-64.7000111.5N214 I220 A221 T222 P230 I235N214-N218 VanDerWaalsContact O-CB 3.28Å; N214-N218 WeakPolarHBondContact O-CB 3.26Å; N214-N218 PolarHBondContact O-N 3.21Å; N214-N218 PolarHBondContact O-ND2 3.3Å; N218-I220 VanDerWaalsContact C-N 3.32Å; N218-I220 PolarHBondContact O-N 3.4Å; N218-A221 PolarHBondContact O-N 3.49Å; N218-T222 PolarHBondContact O-N 3.18Å; N218-T222 PolarHBondContact O-OG1 2.87Å; N218-T222 VanDerWaalsContact O-OG1 3.14Å; N218-P230 VanDerWaalsContact OD1-CG 3.23Å; N218-P230 WeakPolarHBondContact OD1-CG 3.17Å; N218-I235 WeakPolarHBondContact OD1-CD1 3.08Å
219R89.7Confident89.3Confident94 Ų9444.3 Ų44.336%0.35522%0.216SC..Hα-helixtrans-57.1-44.4175.9-177.7-174.665.2-158.2-3.1112T215 A216 T222 D223T215-R219 WeakPolarHBondContact O-CB 3.47Å; T215-R219 PolarHBondContact O-N 2.8Å; A216-R219 PolarHBondContact O-N 2.86Å; R219-T222 PolarHBondContact O-N 3.28Å; R219-D223 WeakPolarHBondContact CG-OD2 3.43Å; R219-D223 VanDerWaalsContact O-CB 3.23Å; R219-D223 WeakPolarHBondContact O-CB 3.29Å; R219-D223 VanDerWaalsContact O-CG 3.3Å; R219-D223 PolarHBondContact O-N 2.51Å
220I89.3Confident88.7Confident2 Ų245.5 Ų45.51%0.0122%0.224CC..Hα-helixtrans-63.6-44.1178.1-73.3166.2000111.1A216 L217 N218 T222 R224 L225 L238 L283 M311A216-I220 WeakPolarHBondContact O-CB 3.33Å; A216-I220 VanDerWaalsContact O-CG1 3.29Å; A216-I220 WeakPolarHBondContact O-CG1 3.49Å; A216-I220 PolarHBondContact O-N 2.79Å; L217-I220 PolarHBondContact O-N 3.32Å; N218-I220 VanDerWaalsContact C-N 3.32Å; N218-I220 PolarHBondContact O-N 3.4Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 2.88Å; I220-R224 HydrophobicContact CG2-CB 4.47Å; I220-R224 WeakPolarHBondContact O-CA 3.36Å; I220-R224 VanDerWaalsContact O-CB 3.26Å; I220-R224 WeakPolarHBondContact O-CB 3.21Å; I220-R224 PolarHBondContact O-N 2.73Å; I220-L225 PolarHBondContact O-N 3.16Å; I220-L238 HydrophobicContact CG2-CD1 4.22Å; I220-L283 HydrophobicContact CD1-CD1 4.34Å; I220-L283 HydrophobicContact CG2-CD1 3.86Å; I220-L283 HydrophobicContact CG2-CD2 4.1Å; I220-L283 HydrophobicContact CG2-CG 4.43Å; I220-M311 HydrophobicContact CD1-CB 4.27Å; I220-M311 HydrophobicContact CD1-CG 3.44Å; I220-M311 VanDerWaalsContact CD1-CG 3.44Å
221A88.1Confident88.2Confident0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-61.6-43178.800000111.9L217 N218 L225 H226 I227 P230 L238L217-A221 PolarHBondContact O-N 3.15Å; N218-A221 PolarHBondContact O-N 3.49Å; A221-L225 CarbonylContact O-C 3.52Å; A221-L225 WeakPolarHBondContact O-CA 3.36Å; A221-L225 WeakPolarHBondContact O-CB 3.07Å; A221-L225 PolarHBondContact O-N 3.29Å; A221-H226 PolarHBondContact O-N 3.09Å; A221-I227 PolarHBondContact O-N 3.24Å; A221-I227 VanDerWaalsContact O-N 3.15Å; A221-P230 HydrophobicContact CB-CB 3.65Å; A221-P230 HydrophobicContact CB-CG 4Å; A221-L238 HydrophobicContact CB-CD1 4.38Å
222T87.6Confident87.7Confident62 Ų6254.3 Ų54.338%0.3827%0.269SS..Hα-helixtrans-71.2-52.9178.1-54.30000112.1N218 R219 I220 H226N218-T222 PolarHBondContact O-N 3.18Å; N218-T222 PolarHBondContact O-OG1 2.87Å; N218-T222 VanDerWaalsContact O-OG1 3.14Å; R219-T222 PolarHBondContact O-N 3.28Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 2.88Å; T222-H226 WeakPolarHBondContact O-CA 3.35Å; T222-H226 PolarHBondContact O-N 3.22Å
223D85.6Confident87.3Confident96 Ų9657 Ų5751%0.51329%0.288SS..Hα-helixtrans-76.8-32.7-170.3-67.4-12.8000113.2R219 H226R219-D223 WeakPolarHBondContact CG-OD2 3.43Å; R219-D223 VanDerWaalsContact O-CB 3.23Å; R219-D223 WeakPolarHBondContact O-CB 3.29Å; R219-D223 VanDerWaalsContact O-CG 3.3Å; R219-D223 PolarHBondContact O-N 2.51Å; D223-H226 PolarHBondContact O-CE1 2.92Å
224R81.6Confident87Confident69 Ų6959.9 Ų59.926%0.2630%0.302SS..Hα-helixtrans-112.5-34.7-169.4-57.4-61.8-63.6-86.1-13.2113.7I220 L283 N309I220-R224 HydrophobicContact CG2-CB 4.47Å; I220-R224 WeakPolarHBondContact O-CA 3.36Å; I220-R224 VanDerWaalsContact O-CB 3.26Å; I220-R224 WeakPolarHBondContact O-CB 3.21Å; I220-R224 PolarHBondContact O-N 2.73Å; R224-L283 HydrophobicContact CB-CB 4.41Å; R224-N309 PolarHBondContact NH1-OD1 2.73Å
225L81.4Confident86.9Confident27 Ų2759 Ų5914%0.14130%0.296CS..Hα-helixtrans-93.2-6.9175.4-54.3-178.6000112.4I220 A221 I227 L238 T285I220-L225 PolarHBondContact O-N 3.16Å; A221-L225 CarbonylContact O-C 3.52Å; A221-L225 WeakPolarHBondContact O-CA 3.36Å; A221-L225 WeakPolarHBondContact O-CB 3.07Å; A221-L225 PolarHBondContact O-N 3.29Å; L225-I227 HydrophobicContact CB-CD1 3.74Å; L225-I227 HydrophobicContact CB-CG1 3.83Å; L225-I227 HydrophobicContact CD1-CD1 3.96Å; L225-I227 PolarHBondContact O-N 3.04Å; L225-L238 HydrophobicContact CD1-CD1 4.07Å; L225-L238 HydrophobicContact CD1-CD2 4.08Å; L225-L238 HydrophobicContact CD1-CG 4.27Å; L225-T285 HydrophobicContact CB-CG2 3.98Å; L225-T285 HydrophobicContact CD2-CG2 4.03Å; L225-T285 WeakPolarHBondContact O-CG2 3.47Å
226H85.6Confident86.9Confident149 Ų14959.1 Ų59.169%0.6930%0.297SS*.  trans56.632.2-179-56.2-54.5000113A221 T222 D223A221-H226 PolarHBondContact O-N 3.09Å; T222-H226 WeakPolarHBondContact O-CA 3.35Å; T222-H226 PolarHBondContact O-N 3.22Å; D223-H226 PolarHBondContact O-CE1 2.92Å
227I85.1Confident86.8Confident34 Ų3463.4 Ų63.417%0.17432%0.317CS..  trans-89.1110.2177-57.6171000107.7A221 L225 N229 P230 Q234A221-I227 PolarHBondContact O-N 3.24Å; A221-I227 VanDerWaalsContact O-N 3.15Å; L225-I227 HydrophobicContact CB-CD1 3.74Å; L225-I227 HydrophobicContact CB-CG1 3.83Å; L225-I227 HydrophobicContact CD1-CD1 3.96Å; L225-I227 PolarHBondContact O-N 3.04Å; I227-N229 PolarHBondContact O-N 3.01Å; I227-P230 HydrophobicContact CG2-CB 4.27Å; I227-Q234 HydrophobicContact CD1-CB 4.38Å; I227-Q234 HydrophobicContact CD1-CG 4.37Å
228Q80.6Confident86.7Confident179 Ų17964.3 Ų64.384%0.83632%0.322SS*.SBendtrans-73.3122.2171.9-64.2-176.2-2.700108.7
229N82.5Confident86.9Confident151 Ų15162.7 Ų62.781%0.80731%0.313SS*.SBendtrans57.174.1-177-56.5-37.1000113.5I227 S231I227-N229 PolarHBondContact O-N 3.01Å; N229-S231 PolarHBondContact O-N 3.33Å
230P85.4Confident87.1Confident25 Ų2558.4 Ų58.416%0.16230%0.298CS..  trans-61.4128.1-178.327.6-36.5000112.2N218 A221 I227 I235N218-P230 VanDerWaalsContact OD1-CG 3.23Å; N218-P230 WeakPolarHBondContact OD1-CG 3.17Å; A221-P230 HydrophobicContact CB-CB 3.65Å; A221-P230 HydrophobicContact CB-CG 4Å; I227-P230 HydrophobicContact CG2-CB 4.27Å; P230-I235 HydrophobicContact CB-CG1 4.25Å
231S88.3Confident87.1Confident54 Ų5460.3 Ų60.338%0.37831%0.31SS..  trans-74.6158.5172.5660000111.7N229 S233 Q234 I235N229-S231 PolarHBondContact O-N 3.33Å; S231-S233 PolarHBondContact O-N 2.97Å; S231-Q234 PolarHBondContact O-N 2.98Å; S231-Q234 WeakPolarHBondContact OG-CG 3.37Å; S231-Q234 PolarHBondContact OG-N 2.87Å; S231-Q234 PolarHBondContact OG-OE1 3.06Å; S231-I235 PolarHBondContact O-N 2.75Å
232F86.1Confident87.3Confident130 Ų13060.3 Ų60.357%0.5731%0.31SS*.Hα-helixtrans-56.1-35173.4-75.3-64.3000112.8Q234 I235 N236F232-Q234 PolarHBondContact O-N 3.05Å; F232-I235 PolarHBondContact O-N 3.03Å; F232-N236 VanDerWaalsContact O-CB 3.26Å; F232-N236 WeakPolarHBondContact O-CB 3.35Å; F232-N236 PolarHBondContact O-N 3.27Å; F232-N236 PolarHBondContact O-ND2 3.29Å; F232-N236 PolarHBondContact O-OD1 3.39Å
233S86.8Confident87.7Confident58 Ų5857.4 Ų57.441%0.40629%0.291SS..Hα-helixtrans-61.3-43.9176.1177.70000111.8S231 N236 Q237S231-S233 PolarHBondContact O-N 2.97Å; S233-N236 PolarHBondContact O-N 3.25Å; S233-Q237 WeakPolarHBondContact O-CG 3.36Å; S233-Q237 PolarHBondContact O-N 2.86Å
234Q87.8Confident88Confident62 Ų6252.9 Ų52.929%0.2927%0.268SS..Hα-helixtrans-68.3-37.9177.9-70.2161.2-40.600112.3I227 S231 F232 Q237 L238I227-Q234 HydrophobicContact CD1-CB 4.38Å; I227-Q234 HydrophobicContact CD1-CG 4.37Å; S231-Q234 PolarHBondContact O-N 2.98Å; S231-Q234 WeakPolarHBondContact OG-CG 3.37Å; S231-Q234 PolarHBondContact OG-N 2.87Å; S231-Q234 PolarHBondContact OG-OE1 3.06Å; F232-Q234 PolarHBondContact O-N 3.05Å; Q234-Q237 PolarHBondContact O-N 3.18Å; Q234-L238 PolarHBondContact O-N 3.09Å
235I89.6Confident88.5Confident3 Ų349.7 Ų49.72%0.01526%0.256CS..Hα-helixtrans-64.9-43.5173.9-64.6171.9000110.2L217 N218 P230 S231 F232 Q237 L238 V239L217-I235 HydrophobicContact CB-CG2 4.01Å; L217-I235 HydrophobicContact CD1-CG2 3.98Å; N218-I235 WeakPolarHBondContact OD1-CD1 3.08Å; P230-I235 HydrophobicContact CB-CG1 4.25Å; S231-I235 PolarHBondContact O-N 2.75Å; F232-I235 PolarHBondContact O-N 3.03Å; I235-Q237 VanDerWaalsContact C-N 3.27Å; I235-Q237 PolarHBondContact O-N 3.41Å; I235-L238 WeakPolarHBondContact O-CB 3.3Å; I235-L238 PolarHBondContact O-N 3.37Å; I235-L238 VanDerWaalsContact O-N 3.07Å; I235-V239 WeakPolarHBondContact O-CG2 3.25Å; I235-V239 PolarHBondContact O-N 2.98Å
236N92.1Very high89Confident12 Ų1248.5 Ų48.56%0.06425%0.25CC..Hα-helixtrans-65.9-29.5-179.8-66.7-11.6000112.2Q16 I17 E20 F232 S233 V239 S240Q16-N236 WeakPolarHBondContact CB-ND2 3.36Å; I17-N236 HydrophobicContact CG2-CB 4.41Å; I17-N236 WeakPolarHBondContact CG2-OD1 3.41Å; E20-N236 HydrophobicContact CG-CB 4.02Å; F232-N236 VanDerWaalsContact O-CB 3.26Å; F232-N236 WeakPolarHBondContact O-CB 3.35Å; F232-N236 PolarHBondContact O-N 3.27Å; F232-N236 PolarHBondContact O-ND2 3.29Å; F232-N236 PolarHBondContact O-OD1 3.39Å; S233-N236 PolarHBondContact O-N 3.25Å; N236-V239 PolarHBondContact O-N 3.08Å; N236-S240 WeakPolarHBondContact O-CB 3.31Å; N236-S240 PolarHBondContact O-N 3Å; N236-S240 PolarHBondContact O-OG 3.48Å
237Q88.6Confident89.3Confident90 Ų9041.6 Ų41.642%0.42122%0.218SC..Hα-helixtrans-64.5-38.6170.6-73.7172.6-3.100112.7S233 Q234 I235 S240 T241S233-Q237 WeakPolarHBondContact O-CG 3.36Å; S233-Q237 PolarHBondContact O-N 2.86Å; Q234-Q237 PolarHBondContact O-N 3.18Å; I235-Q237 VanDerWaalsContact C-N 3.27Å; I235-Q237 PolarHBondContact O-N 3.41Å; Q237-S240 WeakPolarHBondContact CA-OG 3.48Å; Q237-S240 PolarHBondContact O-OG 3.19Å; Q237-T241 WeakPolarHBondContact O-CB 3.43Å; Q237-T241 PolarHBondContact O-N 2.8Å; Q237-T241 VanDerWaalsContact O-N 3.1Å; Q237-T241 PolarHBondContact O-OG1 3.1Å
238L89.6Confident89.6Confident19 Ų1940 Ų4010%0.09921%0.21CC..Hα-helixtrans-65.1-43.3172.4-74.3173000110.8L217 I220 A221 L225 Q234 I235 T241 I242 L283L217-L238 HydrophobicContact CD2-CB 4.32Å; I220-L238 HydrophobicContact CG2-CD1 4.22Å; A221-L238 HydrophobicContact CB-CD1 4.38Å; L225-L238 HydrophobicContact CD1-CD1 4.07Å; L225-L238 HydrophobicContact CD1-CD2 4.08Å; L225-L238 HydrophobicContact CD1-CG 4.27Å; Q234-L238 PolarHBondContact O-N 3.09Å; I235-L238 WeakPolarHBondContact O-CB 3.3Å; I235-L238 PolarHBondContact O-N 3.37Å; I235-L238 VanDerWaalsContact O-N 3.07Å; L238-T241 WeakPolarHBondContact O-CB 3.39Å; L238-T241 PolarHBondContact O-N 3.37Å; L238-I242 WeakPolarHBondContact O-CD1 3.48Å; L238-I242 VanDerWaalsContact O-CG1 3.27Å; L238-I242 WeakPolarHBondContact O-CG1 3.41Å; L238-I242 PolarHBondContact O-N 3.45Å; L238-L283 HydrophobicContact CD2-CD2 4.15Å
239V93.4Very high89.9Confident1 Ų131.7 Ų31.71%0.00617%0.172CC..Hα-helixtrans-61.4-47.9177.1172.20000111.5I17 L212 L217 I235 N236 T241 I242 M243I17-V239 HydrophobicContact CB-CG1 4Å; I17-V239 HydrophobicContact CD1-CG1 4.48Å; I17-V239 HydrophobicContact CG2-CB 4.44Å; I17-V239 HydrophobicContact CG2-CG1 3.97Å; L212-V239 HydrophobicContact CD1-CG1 3.52Å; L212-V239 HydrophobicContact CD1-CG2 4.38Å; L212-V239 HydrophobicContact CD2-CG1 4.45Å; L217-V239 HydrophobicContact CD1-CG2 3.63Å; I235-V239 WeakPolarHBondContact O-CG2 3.25Å; I235-V239 PolarHBondContact O-N 2.98Å; N236-V239 PolarHBondContact O-N 3.08Å; V239-T241 VanDerWaalsContact C-N 3.29Å; V239-T241 PolarHBondContact O-N 3.38Å; V239-I242 WeakPolarHBondContact O-CB 3.31Å; V239-I242 PolarHBondContact O-N 3.1Å; V239-I242 VanDerWaalsContact O-N 3.08Å; V239-M243 HydrophobicContact CG1-CG 4.22Å; V239-M243 HydrophobicContact CG1-SD 3.7Å; V239-M243 WeakPolarHBondContact O-CG 3.38Å; V239-M243 PolarHBondContact O-N 3.49Å
240S93.3Very high90.2Very high4 Ų424.9 Ų24.93%0.02814%0.135CC..Hα-helixtrans-62.4-37.3179.668.20000111.8E20 N236 Q237 I242 M243 S244E20-S240 WeakPolarHBondContact O-CB 3.28Å; N236-S240 WeakPolarHBondContact O-CB 3.31Å; N236-S240 PolarHBondContact O-N 3Å; N236-S240 PolarHBondContact O-OG 3.48Å; Q237-S240 WeakPolarHBondContact CA-OG 3.48Å; Q237-S240 PolarHBondContact O-OG 3.19Å; S240-I242 VanDerWaalsContact C-N 3.33Å; S240-I242 PolarHBondContact O-N 2.75Å; S240-M243 PolarHBondContact O-N 3.32Å; S240-S244 VanDerWaalsContact O-CB 3.28Å; S240-S244 WeakPolarHBondContact O-CB 3.41Å; S240-S244 PolarHBondContact O-N 3.48Å
241T91Very high90.4Very high42 Ų4223.7 Ų23.726%0.25813%0.127SC..Hα-helixtrans-59.9-42.4173.5-58.60000111.6Q237 L238 V239 A245 Y280Q237-T241 WeakPolarHBondContact O-CB 3.43Å; Q237-T241 PolarHBondContact O-N 2.8Å; Q237-T241 VanDerWaalsContact O-N 3.1Å; Q237-T241 PolarHBondContact O-OG1 3.1Å; L238-T241 WeakPolarHBondContact O-CB 3.39Å; L238-T241 PolarHBondContact O-N 3.37Å; V239-T241 VanDerWaalsContact C-N 3.29Å; V239-T241 PolarHBondContact O-N 3.38Å; T241-A245 WeakPolarHBondContact O-CB 3.43Å; T241-A245 PolarHBondContact O-N 2.98Å; T241-Y280 HydrophobicContact CG2-CE1 4.06Å; T241-Y280 HydrophobicContact CG2-CE2 4.03Å
242I92.3Very high90.2Very high0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-69-45.5178.4-61.6155.8000111L212 L217 L238 V239 S240 S244 A245 S246 T278 M311 L383L212-I242 HydrophobicContact CD2-CD1 4.29Å; L217-I242 HydrophobicContact CD2-CD1 4.28Å; L238-I242 WeakPolarHBondContact O-CD1 3.48Å; L238-I242 VanDerWaalsContact O-CG1 3.27Å; L238-I242 WeakPolarHBondContact O-CG1 3.41Å; L238-I242 PolarHBondContact O-N 3.45Å; V239-I242 WeakPolarHBondContact O-CB 3.31Å; V239-I242 PolarHBondContact O-N 3.1Å; V239-I242 VanDerWaalsContact O-N 3.08Å; S240-I242 VanDerWaalsContact C-N 3.33Å; S240-I242 PolarHBondContact O-N 2.75Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 2.87Å; I242-A245 PolarHBondContact O-N 3.34Å; I242-S246 WeakPolarHBondContact O-CB 3.07Å; I242-S246 PolarHBondContact O-N 2.93Å; I242-S246 PolarHBondContact O-OG 3.13Å; I242-T278 HydrophobicContact CG2-CG2 3.77Å; I242-M311 HydrophobicContact CD1-CE 3.51Å; I242-M311 HydrophobicContact CD1-CG 4.33Å; I242-M311 HydrophobicContact CD1-SD 3.18Å; I242-M311 WeakPolarHBondContact CD1-SD 3.3Å; I242-M311 HydrophobicContact CG1-CE 3.72Å; I242-M311 HydrophobicContact CG1-SD 3.59Å; I242-M311 VanDerWaalsContact CG1-SD 3.59Å; I242-L383 HydrophobicContact CG2-CD1 4.06Å
243M94.6Very high89.5Confident0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-61.6-42.4177.9-69.3174.966.300111.1F21 C145 Y176 V239 S240 S246 T247F21-M243 HydrophobicContact CB-CE 3.93Å; F21-M243 HydrophobicContact CB-SD 4.28Å; F21-M243 HydrophobicContact CD1-CE 4.13Å; F21-M243 HydrophobicContact CD2-CB 3.51Å; F21-M243 HydrophobicContact CD2-CE 4.09Å; F21-M243 HydrophobicContact CE2-CB 3.87Å; F21-M243 HydrophobicContact CG-CB 4.3Å; F21-M243 HydrophobicContact CG-CE 3.79Å; C145-M243 WeakPolarHBondContact SG-CE 3.49Å; Y176-M243 HydrophobicContact CD1-CG 3.65Å; Y176-M243 HydrophobicContact CD2-CE 3.95Å; Y176-M243 HydrophobicContact CD2-CG 4.36Å; Y176-M243 HydrophobicContact CE1-CB 4.37Å; Y176-M243 HydrophobicContact CE1-CG 3.78Å; Y176-M243 HydrophobicContact CE2-CE 4.39Å; Y176-M243 HydrophobicContact CE2-CG 4.48Å; Y176-M243 HydrophobicContact CG-CE 4.16Å; Y176-M243 HydrophobicContact CG-CG 3.96Å; Y176-M243 HydrophobicContact CG-SD 4.34Å; V239-M243 HydrophobicContact CG1-CG 4.22Å; V239-M243 HydrophobicContact CG1-SD 3.7Å; V239-M243 WeakPolarHBondContact O-CG 3.38Å; V239-M243 PolarHBondContact O-N 3.49Å; S240-M243 PolarHBondContact O-N 3.32Å; M243-S246 WeakPolarHBondContact CA-OG 3.47Å; M243-S246 PolarHBondContact O-OG 3.44Å; M243-T247 VanDerWaalsContact O-CG2 3.32Å; M243-T247 WeakPolarHBondContact O-CG2 3.46Å; M243-T247 PolarHBondContact O-N 3.42Å; M243-T247 PolarHBondContact O-OG1 3.06Å
244S93.4Very high88.8Confident2 Ų216.9 Ų16.91%0.01410%0.097CC..Hα-helixtrans-64.4-46.5174.31770000111.8E28 S240 I242 S246 T247 T248 R251E28-S244 PolarHBondContact OE1-OG 3.45Å; E28-S244 PolarHBondContact OE2-OG 3.05Å; S240-S244 VanDerWaalsContact O-CB 3.28Å; S240-S244 WeakPolarHBondContact O-CB 3.41Å; S240-S244 PolarHBondContact O-N 3.48Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 2.87Å; S244-S246 VanDerWaalsContact C-N 3.34Å; S244-S246 PolarHBondContact O-N 3.13Å; S244-T247 PolarHBondContact O-N 3.32Å; S244-T247 PolarHBondContact O-OG1 3.24Å; S244-T247 VanDerWaalsContact O-OG1 3.05Å; S244-T248 PolarHBondContact O-N 3.35Å; S244-T248 VanDerWaalsContact O-N 3.14Å; S244-T248 PolarHBondContact O-OG1 2.92Å; S244-R251 PolarHBondContact O-NH2 3.05Å; S244-R251 PolarHBondContact OG-NH2 2.97Å
245A91.8Very high87.7Confident1 Ų125.1 Ų25.11%0.00813%0.128CC..Hα-helixtrans-65.4-34.8-178.600000113.1T241 I242 T248 Y280 I330 L383T241-A245 WeakPolarHBondContact O-CB 3.43Å; T241-A245 PolarHBondContact O-N 2.98Å; I242-A245 PolarHBondContact O-N 3.34Å; A245-T248 VanDerWaalsContact CA-OG1 3.26Å; A245-T248 WeakPolarHBondContact CA-OG1 3.37Å; A245-T248 PolarHBondContact O-N 3.49Å; A245-T248 PolarHBondContact O-OG1 3.14Å; A245-Y280 HydrophobicContact CB-CE2 4.1Å; A245-I330 WeakPolarHBondContact O-CD1 3.39Å; A245-L383 HydrophobicContact CB-CB 3.95Å; A245-L383 HydrophobicContact CB-CD2 3.79Å; A245-L383 HydrophobicContact CB-CG 4.32Å
246S92.2Very high86.6Confident3 Ų330.6 Ų30.62%0.02115%0.154CC..Hα-helixtrans-74-27.8178.546.70000112.7Y176 I242 M243 S244 L383Y176-S246 PolarHBondContact OH-OG 3.09Å; I242-S246 WeakPolarHBondContact O-CB 3.07Å; I242-S246 PolarHBondContact O-N 2.93Å; I242-S246 PolarHBondContact O-OG 3.13Å; M243-S246 WeakPolarHBondContact CA-OG 3.47Å; M243-S246 PolarHBondContact O-OG 3.44Å; S244-S246 VanDerWaalsContact C-N 3.34Å; S244-S246 PolarHBondContact O-N 3.13Å; S246-L383 VanDerWaalsContact CA-CD2 3.46Å; S246-L383 VanDerWaalsContact N-CD2 3.28Å
247T91.7Very high85.5Confident4 Ų431.5 Ų31.53%0.02516%0.159CC..THydrogen-bonded Turntrans-931.4177.358.60000113.3F51 M243 S244 T249 L250 R251F51-T247 HydrophobicContact CE2-CG2 4.14Å; F51-T247 HydrophobicContact CZ-CG2 3.63Å; M243-T247 VanDerWaalsContact O-CG2 3.32Å; M243-T247 WeakPolarHBondContact O-CG2 3.46Å; M243-T247 PolarHBondContact O-N 3.42Å; M243-T247 PolarHBondContact O-OG1 3.06Å; S244-T247 PolarHBondContact O-N 3.32Å; S244-T247 PolarHBondContact O-OG1 3.24Å; S244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-T249 VanDerWaalsContact C-N 3.33Å; T247-T249 PolarHBondContact O-N 3.43Å; T247-L250 WeakPolarHBondContact O-CB 3.24Å; T247-L250 PolarHBondContact O-N 3.39Å; T247-R251 PolarHBondContact O-N 2.98Å; T247-R251 PolarHBondContact OG1-NE 2.82Å
248T90.1Very high84.8Confident1 Ų129.3 Ų29.31%0.00615%0.151CC..Hα-helixtrans-61.7-39.1-173.9-53.20000112.4S244 A245 L250 R251 Y252 Q332 S368S244-T248 PolarHBondContact O-N 3.35Å; S244-T248 VanDerWaalsContact O-N 3.14Å; S244-T248 PolarHBondContact O-OG1 2.92Å; A245-T248 VanDerWaalsContact CA-OG1 3.26Å; A245-T248 WeakPolarHBondContact CA-OG1 3.37Å; A245-T248 PolarHBondContact O-N 3.49Å; A245-T248 PolarHBondContact O-OG1 3.14Å; T248-L250 PolarHBondContact O-N 3.42Å; T248-R251 PolarHBondContact O-N 3.3Å; T248-Y252 HydrophobicContact CG2-CD2 3.62Å; T248-Y252 HydrophobicContact CG2-CE2 4.3Å; T248-Y252 HydrophobicContact CG2-CG 4.47Å; T248-Y252 PolarHBondContact O-N 3.26Å; T248-Q332 HydrophobicContact CG2-CG 4.47Å; T248-Q332 PolarHBondContact OG1-NE2 3.32Å; T248-S368 WeakPolarHBondContact CG2-OG 3.39Å
249T87.9Confident84.3Confident4 Ų430.1 Ų30.13%0.02516%0.155CC..Hα-helixtrans-68-16.7179.762.60000113.2T247 N257 N258 I330 A366T247-T249 VanDerWaalsContact C-N 3.33Å; T247-T249 PolarHBondContact O-N 3.43Å; T249-N257 WeakPolarHBondContact CB-O 3.34Å; T249-N257 PolarHBondContact OG1-O 2.77Å; T249-N258 WeakPolarHBondContact O-CA 3.28Å; T249-I330 HydrophobicContact CG2-CD1 4.31Å; T249-I330 HydrophobicContact CG2-CG1 4.43Å; T249-I330 HydrophobicContact CG2-CG2 4.36Å; T249-A366 HydrophobicContact CG2-CB 3.74Å
250L88.1Confident83.9Confident8 Ų830.3 Ų30.34%0.04216%0.156CC..Hα-helixtrans-82.6-41.9174.3-50.4177.9000110.6I5 V50 T247 T248 D259 L263I5-L250 HydrophobicContact CD1-CD1 3.7Å; V50-L250 HydrophobicContact CG1-CB 4.17Å; T247-L250 WeakPolarHBondContact O-CB 3.24Å; T247-L250 PolarHBondContact O-N 3.39Å; T248-L250 PolarHBondContact O-N 3.42Å; L250-D259 VanDerWaalsContact CD2-C 3.4Å; L250-D259 VanDerWaalsContact CD2-CA 3.48Å; L250-L263 HydrophobicContact CD2-CD1 3.95Å; L250-L263 HydrophobicContact CG-CD1 4.23Å
251R89.5Confident83.6Confident0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-85.3-28.7-173.8-64.4-179.5-58.6105.4-3.1113.8E28 H29 R47 F51 S244 T247 T248E28-R251 IonicContact OE2-CZ 2.6Å; E28-R251 IonicContact OE2-NH1 2.72Å; E28-R251 PolarHBondContact OE2-NH1 2.75Å; E28-R251 IonicContact OE2-NH2 3.65Å; E28-R251 PolarHBondContact OE2-NH2 2.83Å; H29-R251 WeakPolarHBondContact NE2-CD 3.28Å; H29-R251 PolarHBondContact NE2-NH1 2.89Å; R47-R251 WeakPolarHBondContact CB-O 3.44Å; R47-R251 PolarHBondContact N-O 2.87Å; F51-R251 HydrophobicContact CD2-CG 3.65Å; F51-R251 HydrophobicContact CE2-CG 3.81Å; S244-R251 PolarHBondContact O-NH2 3.05Å; S244-R251 PolarHBondContact OG-NH2 2.97Å; T247-R251 PolarHBondContact O-N 2.98Å; T247-R251 PolarHBondContact OG1-NE 2.82Å; T248-R251 PolarHBondContact O-N 3.3Å
252Y85.5Confident83.4Confident8 Ų832.8 Ų32.83%0.03117%0.17CC..SBendtrans-117119.6176.9-65.6-85.8000109.3E28 D46 T248 G254 S371E28-Y252 PolarHBondContact O-OH 2.73Å; D46-Y252 HydrophobicContact CB-CD1 3.9Å; D46-Y252 HydrophobicContact CB-CE1 3.52Å; T248-Y252 HydrophobicContact CG2-CD2 3.62Å; T248-Y252 HydrophobicContact CG2-CE2 4.3Å; T248-Y252 HydrophobicContact CG2-CG 4.47Å; T248-Y252 PolarHBondContact O-N 3.26Å; Y252-G254 PolarHBondContact O-N 3.21Å; Y252-G254 VanDerWaalsContact O-N 3.12Å; Y252-S371 WeakPolarHBondContact OH-CB 3.45Å
253P70.5Confident83.1Confident64 Ų6433.2 Ų33.242%0.41617%0.173SC..  trans-61.3117.8-176.823.8-32000111T45T45-P253 VanDerWaalsContact O-CD 3.27Å; T45-P253 WeakPolarHBondContact O-CD 3.4Å; T45-P253 WeakPolarHBondContact O-CG 3.42Å
254G73Confident82.9Confident27 Ų2734.1 Ų34.128%0.27818%0.178SC..  trans-113.9-170.1172.700000112.7Y252 N258Y252-G254 PolarHBondContact O-N 3.21Å; Y252-G254 VanDerWaalsContact O-N 3.12Å; G254-N258 VanDerWaalsContact C-OD1 3.29Å; G254-N258 VanDerWaalsContact CA-OD1 3.28Å; G254-N258 WeakPolarHBondContact CA-OD1 3.35Å; G254-N258 PolarHBondContact N-OD1 2.77Å; G254-N258 PolarHBondContact O-ND2 2.85Å; G254-N258 PolarHBondContact O-OD1 2.91Å
255Y62.9Low82.8Confident235 Ų23537.2 Ų37.292%0.92220%0.203SC*.SBendtrans-91.9-24.5178.3-74.4-83.9000113.8
256M66.4Low82.6Confident118 Ų11837.9 Ų37.958%0.58121%0.208SC*.SBendtrans-137.9148.3-174.6-63.6-171.9-61.400110.9N258 V365M256-N258 VanDerWaalsContact C-N 3.35Å; M256-N258 PolarHBondContact O-N 3.27Å; M256-V365 VanDerWaalsContact CE-O 3.27Å; M256-V365 WeakPolarHBondContact CE-O 3.37Å
257N69Low82.6Confident31 Ų3137.9 Ų37.917%0.16621%0.207CC..  trans53.445.9177.2-57.5-18000113.8T249 D259 L263 Q364T249-N257 WeakPolarHBondContact CB-O 3.34Å; T249-N257 PolarHBondContact OG1-O 2.77Å; N257-D259 PolarHBondContact O-N 3.33Å; N257-L263 HydrophobicContact CB-CD2 3.75Å; N257-L263 HydrophobicContact CB-CG 4.16Å; N257-Q364 PolarHBondContact ND2-OE1 2.85Å
258N73.9Confident82.8Confident44 Ų4438.5 Ų38.524%0.23521%0.21CC..  trans-81.510.6178.4-62.8-53.4000113.6T249 G254 M256T249-N258 WeakPolarHBondContact O-CA 3.28Å; G254-N258 VanDerWaalsContact C-OD1 3.29Å; G254-N258 VanDerWaalsContact CA-OD1 3.28Å; G254-N258 WeakPolarHBondContact CA-OD1 3.35Å; G254-N258 PolarHBondContact N-OD1 2.77Å; G254-N258 PolarHBondContact O-ND2 2.85Å; G254-N258 PolarHBondContact O-OD1 2.91Å; M256-N258 VanDerWaalsContact C-N 3.35Å; M256-N258 PolarHBondContact O-N 3.27Å
259D80.6Confident82.8Confident36 Ų3642 Ų4219%0.19323%0.234CC..SBendtrans-142.1156.317962.90.3000111.8R3 L250 N257 I261 G262 L263R3-D259 IonicContact CZ-OD2 3.53Å; R3-D259 IonicContact NH1-OD2 2.64Å; R3-D259 PolarHBondContact NH1-OD2 2.92Å; R3-D259 IonicContact NH2-OD2 3.19Å; L250-D259 VanDerWaalsContact CD2-C 3.4Å; L250-D259 VanDerWaalsContact CD2-CA 3.48Å; N257-D259 PolarHBondContact O-N 3.33Å; D259-I261 VanDerWaalsContact C-N 3.28Å; D259-I261 PolarHBondContact O-N 2.72Å; D259-G262 PolarHBondContact O-N 3.16Å; D259-G262 VanDerWaalsContact OD1-CA 3.23Å; D259-G262 WeakPolarHBondContact OD1-CA 3.32Å; D259-G262 PolarHBondContact OD1-N 2.87Å; D259-L263 WeakPolarHBondContact O-CG 3.48Å; D259-L263 PolarHBondContact O-N 2.75Å; D259-L263 VanDerWaalsContact O-N 3.11Å
260L83.8Confident82.8Confident4 Ų442.7 Ų42.72%0.02124%0.238CC..Hα-helixtrans-63.8-37.2-178.5-176.558.8000111.8I5 L172 L263 I264I5-L260 HydrophobicContact CD1-CD2 4.39Å; L172-L260 HydrophobicContact CB-CD2 4.17Å; L172-L260 HydrophobicContact CD1-CB 4.29Å; L172-L260 HydrophobicContact CD1-CD2 4.16Å; L172-L260 HydrophobicContact CD1-CG 3.95Å; L260-L263 PolarHBondContact O-N 3.12Å; L260-I264 HydrophobicContact CD1-CD1 4.02Å; L260-I264 HydrophobicContact CD1-CG1 4.21Å; L260-I264 HydrophobicContact CG-CD1 3.99Å; L260-I264 WeakPolarHBondContact O-CG1 3.21Å; L260-I264 PolarHBondContact O-N 3.32Å
261I87.5Confident82.9Confident80 Ų8047.5 Ų47.541%0.4127%0.269SS..Hα-helixtrans-60.1-49.2176.9-59.6164000110.5K140 L172 D259 L263 I264 A265K140-I261 HydrophobicContact CD-CD1 4.29Å; L172-I261 HydrophobicContact CD1-CB 4.2Å; L172-I261 HydrophobicContact CD1-CG1 3.41Å; L172-I261 VanDerWaalsContact CD1-CG1 3.41Å; L172-I261 HydrophobicContact CG-CG1 4.39Å; D259-I261 VanDerWaalsContact C-N 3.28Å; D259-I261 PolarHBondContact O-N 2.72Å; I261-L263 PolarHBondContact O-N 3.35Å; I261-I264 PolarHBondContact O-N 3.29Å; I261-A265 WeakPolarHBondContact O-CB 3.45Å; I261-A265 PolarHBondContact O-N 3.25Å
262G86.4Confident83Confident18 Ų1853.4 Ų53.419%0.18629%0.292CS..Hα-helixtrans-64.8-38.6179.700000112.7D259 S266D259-G262 PolarHBondContact O-N 3.16Å; D259-G262 VanDerWaalsContact OD1-CA 3.23Å; D259-G262 WeakPolarHBondContact OD1-CA 3.32Å; D259-G262 PolarHBondContact OD1-N 2.87Å; G262-S266 WeakPolarHBondContact O-CB 3.27Å; G262-S266 PolarHBondContact O-N 2.76Å; G262-S266 VanDerWaalsContact O-N 3.12Å; G262-S266 PolarHBondContact O-OG 3.01Å
263L87Confident83.5Confident10 Ų1053 Ų535%0.05229%0.29CS..Hα-helixtrans-59.5-53.7173.2-73.4171.2000111.5L250 N257 D259 L260 I261 S266 L267 L328L250-L263 HydrophobicContact CD2-CD1 3.95Å; L250-L263 HydrophobicContact CG-CD1 4.23Å; N257-L263 HydrophobicContact CB-CD2 3.75Å; N257-L263 HydrophobicContact CB-CG 4.16Å; D259-L263 WeakPolarHBondContact O-CG 3.48Å; D259-L263 PolarHBondContact O-N 2.75Å; D259-L263 VanDerWaalsContact O-N 3.11Å; L260-L263 PolarHBondContact O-N 3.12Å; I261-L263 PolarHBondContact O-N 3.35Å; L263-S266 PolarHBondContact O-N 2.97Å; L263-S266 PolarHBondContact O-OG 3.09Å; L263-L267 PolarHBondContact O-N 2.79Å; L263-L328 HydrophobicContact CD2-CD2 3.35Å
264I90.4Very high84.8Confident19 Ų1950.1 Ų50.110%0.09727%0.271CS..Hα-helixtrans-62.3-49-178.7-70.1179.2000110.8L172 D207 C208 L260 I261 S266 L267 I268L172-I264 HydrophobicContact CD1-CD1 4.11Å; L172-I264 HydrophobicContact CD2-CD1 4.39Å; D207-I264 HydrophobicContact CB-CD1 4.34Å; C208-I264 HydrophobicContact CB-CD1 3.66Å; C208-I264 HydrophobicContact CB-CG1 3.8Å; L260-I264 HydrophobicContact CD1-CD1 4.02Å; L260-I264 HydrophobicContact CD1-CG1 4.21Å; L260-I264 HydrophobicContact CG-CD1 3.99Å; L260-I264 WeakPolarHBondContact O-CG1 3.21Å; L260-I264 PolarHBondContact O-N 3.32Å; I261-I264 PolarHBondContact O-N 3.29Å; I264-S266 PolarHBondContact O-N 2.89Å; I264-L267 PolarHBondContact O-N 3.44Å; I264-I268 HydrophobicContact CG2-CB 4.5Å; I264-I268 HydrophobicContact CG2-CD1 3.96Å; I264-I268 WeakPolarHBondContact O-CB 3.34Å; I264-I268 PolarHBondContact O-N 3.17Å
265A89.8Confident85.9Confident67 Ų6748.8 Ų48.855%0.55426%0.258SS*.Hα-helixtrans-59.7-31.5-17900000112.9I261I261-A265 WeakPolarHBondContact O-CB 3.45Å; I261-A265 PolarHBondContact O-N 3.25Å
266S88.6Confident87.6Confident15 Ų1537.6 Ų37.611%0.10521%0.214CC..Hα-helixtrans-73.5-27177.573.90000114.3G262 L263 I264G262-S266 WeakPolarHBondContact O-CB 3.27Å; G262-S266 PolarHBondContact O-N 2.76Å; G262-S266 VanDerWaalsContact O-N 3.12Å; G262-S266 PolarHBondContact O-OG 3.01Å; L263-S266 PolarHBondContact O-N 2.97Å; L263-S266 PolarHBondContact O-OG 3.09Å; I264-S266 PolarHBondContact O-N 2.89Å
267L92.6Very high89Confident2 Ų232 Ų321%0.0119%0.186CC..Hα-helixtrans-102.2-25.4-172-77.8165.1000113L263 I264 P269 L276 A326 L328 M385 N387L263-L267 PolarHBondContact O-N 2.79Å; I264-L267 PolarHBondContact O-N 3.44Å; L267-P269 WeakPolarHBondContact O-CD 3.49Å; L267-L276 HydrophobicContact CB-CD1 4.35Å; L267-L276 HydrophobicContact CB-CD2 4.11Å; L267-L276 HydrophobicContact CD1-CD1 3.81Å; L267-A326 HydrophobicContact CD2-CB 4.38Å; L267-L328 HydrophobicContact CD1-CB 4.06Å; L267-L328 HydrophobicContact CD1-CD2 4.01Å; L267-L328 HydrophobicContact CD2-CB 3.7Å; L267-L328 HydrophobicContact CG-CB 4.03Å; L267-M385 HydrophobicContact CD1-CB 3.93Å; L267-M385 HydrophobicContact CD1-CE 4.15Å; L267-M385 HydrophobicContact CD1-SD 4.45Å; L267-M385 HydrophobicContact CD2-CB 4.35Å; L267-M385 WeakPolarHBondContact CD2-O 3.23Å; L267-N387 VanDerWaalsContact O-CB 3.32Å; L267-N387 WeakPolarHBondContact O-CB 3.49Å; L267-N387 PolarHBondContact O-ND2 2.98Å
268I94.9Very high90.2Very high17 Ų1730.5 Ų30.59%0.08718%0.178CC..  trans-126.681.3-168.7-57.2166.9000108.5D207 C208 I264 T270 H274 L276D207-I268 WeakPolarHBondContact O-CD1 3.1Å; C208-I268 HydrophobicContact CB-CD1 3.68Å; I264-I268 HydrophobicContact CG2-CB 4.5Å; I264-I268 HydrophobicContact CG2-CD1 3.96Å; I264-I268 WeakPolarHBondContact O-CB 3.34Å; I264-I268 PolarHBondContact O-N 3.17Å; I268-T270 WeakPolarHBondContact CG2-O 3.42Å; I268-H274 HydrophobicContact CD1-CB 3.63Å; I268-H274 HydrophobicContact CG1-CB 4.16Å; I268-H274 HydrophobicContact CG2-CB 3.75Å; I268-L276 HydrophobicContact CG1-CD2 4.27Å
269P89.6Confident91.2Very high76 Ų7628.4 Ų28.449%0.49417%0.167SC..SBendtrans-74.4-18.9175.630.5-34.7000112.6L267 I325L267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-I325 HydrophobicContact CG-CG2 3.34Å
270T89.6Confident91.7Very high18 Ų1828.1 Ų28.111%0.1116%0.163CC..SBendtrans-124.1111.9-177470000108.5I268 R272 L273 W358 Y450I268-T270 WeakPolarHBondContact CG2-O 3.42Å; T270-R272 VanDerWaalsContact C-N 3.31Å; T270-R272 PolarHBondContact O-N 3.2Å; T270-R272 VanDerWaalsContact O-N 3.13Å; T270-L273 PolarHBondContact O-N 3.16Å; T270-L273 WeakPolarHBondContact OG1-CB 3.4Å; T270-W358 HydrophobicContact CG2-CH2 4.07Å; T270-Y450 HydrophobicContact CG2-CE1 3.86Å
271P88.6Confident92Very high109 Ų10928.1 Ų28.171%0.70816%0.163SC*.THydrogen-bonded Turntrans-55.7-35.3-167.4-30.635.6000115.7H274P271-H274 PolarHBondContact O-ND1 2.93Å
272R91.8Very high91.9Very high124 Ų12425.4 Ų25.447%0.46815%0.151SC..THydrogen-bonded Turntrans-75.5-25.8179-70-170.2-63.6-146.9-1.3113.7T270 H274 L438 E441T270-R272 VanDerWaalsContact C-N 3.31Å; T270-R272 PolarHBondContact O-N 3.2Å; T270-R272 VanDerWaalsContact O-N 3.13Å; R272-H274 VanDerWaalsContact C-N 3.3Å; R272-H274 PolarHBondContact O-N 3.06Å; R272-L438 WeakPolarHBondContact O-CD1 3.42Å; R272-E441 VanDerWaalsContact CB-OE2 3.26Å; R272-E441 WeakPolarHBondContact CB-OE2 3.26Å; R272-E441 WeakPolarHBondContact CD-OE2 3.43Å; R272-E441 IonicContact CZ-OE1 2.55Å; R272-E441 IonicContact CZ-OE2 3.41Å; R272-E441 VanDerWaalsContact NE-CD 3.34Å; R272-E441 IonicContact NE-OE1 3.58Å; R272-E441 PolarHBondContact NE-OE1 3.29Å; R272-E441 IonicContact NE-OE2 3.3Å; R272-E441 PolarHBondContact NE-OE2 2.77Å; R272-E441 VanDerWaalsContact NH2-CD 3.29Å; R272-E441 IonicContact NH2-OE1 3.47Å; R272-E441 PolarHBondContact NH2-OE1 3.32Å; R272-E441 IonicContact NH2-OE2 2.96Å; R272-E441 PolarHBondContact NH2-OE2 3.38Å
273L96.4Very high91.4Very high0 Ų024.8 Ų24.80%014%0.144CC..  trans-93.161.3-179.5-47.2-176000110.1T270 I325 N387 L438 E441 Y442 A445T270-L273 PolarHBondContact O-N 3.16Å; T270-L273 WeakPolarHBondContact OG1-CB 3.4Å; L273-I325 HydrophobicContact CB-CD1 4.2Å; L273-I325 HydrophobicContact CD1-CD1 3.78Å; L273-N387 PolarHBondContact O-ND2 3.2Å; L273-L438 HydrophobicContact CD2-CD1 4.17Å; L273-E441 HydrophobicContact CD2-CB 4.18Å; L273-E441 HydrophobicContact CD2-CG 3.92Å; L273-E441 HydrophobicContact CG-CG 4.47Å; L273-Y442 WeakPolarHBondContact CA-OH 3.3Å; L273-Y442 HydrophobicContact CB-CD1 4.44Å; L273-Y442 HydrophobicContact CB-CE1 3.77Å; L273-Y442 HydrophobicContact CD1-CD1 4.3Å; L273-Y442 HydrophobicContact CD1-CE1 4.41Å; L273-Y442 HydrophobicContact CD2-CD1 3.82Å; L273-Y442 HydrophobicContact CD2-CD2 3.87Å; L273-Y442 HydrophobicContact CD2-CE1 3.8Å; L273-Y442 HydrophobicContact CD2-CE2 3.8Å; L273-Y442 HydrophobicContact CD2-CG 3.85Å; L273-Y442 HydrophobicContact CG-CD1 4.42Å; L273-Y442 HydrophobicContact CG-CE1 4.2Å; L273-A445 HydrophobicContact CD1-CB 3.72Å
274H97Very high90.5Very high2 Ų226.9 Ų26.91%0.00916%0.157CC..  trans-106.817-172.258.6-113.9000114.3L202 T203 A206 D207 V209 I268 P271 R272L202-H274 PolarHBondContact O-CE1 3.25Å; L202-H274 PolarHBondContact O-NE2 3.48Å; T203-H274 PolarHBondContact O-CE1 3.27Å; A206-H274 PolarHBondContact O-CE1 3.21Å; D207-H274 WeakPolarHBondContact O-CB 3.49Å; V209-H274 PolarHBondContact N-O 2.79Å; I268-H274 HydrophobicContact CD1-CB 3.63Å; I268-H274 HydrophobicContact CG1-CB 4.16Å; I268-H274 HydrophobicContact CG2-CB 3.75Å; P271-H274 PolarHBondContact O-ND1 2.93Å; R272-H274 VanDerWaalsContact C-N 3.3Å; R272-H274 PolarHBondContact O-N 3.06Å
275F98.1Very high89Confident0 Ų028.4 Ų28.40%017%0.167CC..EExtended strand (participates in β ladder)trans-91.9113.4179.5-66.5-102.6000110.4L199 L202 V209 V211 I391 F395 L438 Y442L199-F275 HydrophobicContact CD2-CE1 4.11Å; L199-F275 HydrophobicContact CD2-CZ 4.43Å; L202-F275 HydrophobicContact CB-CE1 4.26Å; L202-F275 HydrophobicContact CB-CZ 4.1Å; V209-F275 HydrophobicContact CB-CD1 3.74Å; V209-F275 HydrophobicContact CB-CE1 3.97Å; V209-F275 HydrophobicContact CB-CG 4.26Å; V209-F275 HydrophobicContact CG1-CD1 3.6Å; V209-F275 HydrophobicContact CG1-CE1 3.76Å; V209-F275 HydrophobicContact CG2-CD1 4.34Å; V209-F275 HydrophobicContact CG2-CE1 4.1Å; V209-F275 HydrophobicContact CG2-CZ 4.4Å; V209-F275 WeakPolarHBondContact O-CA 3.42Å; V211-F275 HydrophobicContact CG2-CB 4.19Å; V211-F275 HydrophobicContact CG2-CD1 3.9Å; F275-I391 HydrophobicContact CB-CG1 4.03Å; F275-I391 HydrophobicContact CB-CG2 4.27Å; F275-F395 HydrophobicContact CB-CZ 4Å; F275-F395 AromaticContact CD1-CE1 3.94Å; F275-F395 HydrophobicContact CD1-CE1 3.94Å; F275-F395 AromaticContact CD1-CZ 3.52Å; F275-F395 HydrophobicContact CD1-CZ 3.52Å; F275-F395 HydrophobicContact CD2-CE2 4.31Å; F275-F395 AromaticContact CD2-CZ 3.91Å; F275-F395 HydrophobicContact CD2-CZ 3.91Å; F275-F395 AromaticContact CE1-CE1 3.98Å; F275-F395 HydrophobicContact CE1-CE1 3.98Å; F275-F395 AromaticContact CE1-CZ 3.87Å; F275-F395 HydrophobicContact CE1-CZ 3.87Å; F275-F395 HydrophobicContact CE2-CZ 4.23Å; F275-F395 HydrophobicContact CG-CE1 4.4Å; F275-F395 HydrophobicContact CG-CE2 4.29Å; F275-F395 AromaticContact CG-CZ 3.53Å; F275-F395 HydrophobicContact CG-CZ 3.53Å; F275-F395 HydrophobicContact CZ-CE1 4.48Å; F275-F395 HydrophobicContact CZ-CZ 4.2Å; F275-L438 HydrophobicContact CD2-CD2 4.26Å; F275-L438 HydrophobicContact CE2-CD1 4.46Å; F275-L438 HydrophobicContact CE2-CD2 3.59Å; F275-L438 HydrophobicContact CZ-CD2 4.09Å; F275-Y442 WeakPolarHBondContact CB-OH 3.42Å; F275-Y442 HydrophobicContact CD2-CE2 4.47Å; F275-Y442 WeakPolarHBondContact CD2-OH 2.97Å; F275-Y442 PolarHBondContact N-OH 2.76Å
276L97.2Very high87.2Confident0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-99.5137.3-176.5-56.2-176.6000110.8C208 V209 V211 L267 I268 M385 N387C208-L276 WeakPolarHBondContact SG-CD1 3.38Å; V209-L276 PolarHBondContact O-N 2.94Å; V211-L276 PolarHBondContact N-O 2.82Å; L267-L276 HydrophobicContact CB-CD1 4.35Å; L267-L276 HydrophobicContact CB-CD2 4.11Å; L267-L276 HydrophobicContact CD1-CD1 3.81Å; I268-L276 HydrophobicContact CG1-CD2 4.27Å; L276-M385 HydrophobicContact CD1-CE 3.69Å; L276-N387 HydrophobicContact CD2-CB 3.73Å
277M95.5Very high85.1Confident0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-104.4142.4169.942.8178.968.500110.1V312 T314 R316 A386 H388 I391M277-V312 HydrophobicContact CB-CB 4.12Å; M277-V312 HydrophobicContact CB-CG2 3.57Å; M277-T314 HydrophobicContact CE-CG2 3.83Å; M277-R316 PolarHBondContact SD-NH2 3.11Å; M277-A386 HydrophobicContact CG-CB 4.22Å; M277-A386 WeakPolarHBondContact CG-O 3.22Å; M277-A386 PolarHBondContact N-O 2.84Å; M277-A386 PolarHBondContact O-N 3.37Å; M277-H388 HydrophobicContact CE-CB 4.11Å; M277-H388 HydrophobicContact CG-CB 4.26Å; M277-H388 HydrophobicContact SD-CB 3.54Å; M277-H388 VanDerWaalsContact SD-CB 3.54Å; M277-I391 HydrophobicContact CE-CB 3.72Å; M277-I391 HydrophobicContact CE-CD1 3.72Å; M277-I391 HydrophobicContact CE-CG1 4.29Å
278T95.2Very high83.1Confident0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-105.1151.6-177.253.60000111.1V210 I242 V310 M311 M384V210-T278 HydrophobicContact CG1-CG2 3.64Å; I242-T278 HydrophobicContact CG2-CG2 3.77Å; T278-V310 WeakPolarHBondContact O-CA 3.5Å; T278-M311 PolarHBondContact O-N 3.34Å; T278-M384 CarbonylContact C-O 3.53Å; T278-M384 VanDerWaalsContact CA-O 3.24Å; T278-M384 WeakPolarHBondContact CA-O 3.37Å
279G94Very high80.9Confident0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-143.2143.8166.400000110.4L304 N309 L383 M384G279-L304 WeakPolarHBondContact O-CD2 3.41Å; G279-N309 CarbonylContact C-O 3.53Å; G279-N309 WeakPolarHBondContact CA-O 3.29Å; G279-L383 CarbonylContact O-C 3.58Å; G279-L383 WeakPolarHBondContact O-CA 3.48Å; G279-M384 PolarHBondContact N-O 3.14Å; G279-M384 PolarHBondContact O-N 3.29Å
280Y92.6Very high78.9Confident29 Ų2947 Ų4711%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-133.3146.1-173-169-96.6000111.8T241 A245 P282 L283 N309 M311 G382 L383T241-Y280 HydrophobicContact CG2-CE1 4.06Å; T241-Y280 HydrophobicContact CG2-CE2 4.03Å; A245-Y280 HydrophobicContact CB-CE2 4.1Å; Y280-P282 WeakPolarHBondContact CD1-O 3.45Å; Y280-P282 VanDerWaalsContact CE1-O 3.28Å; Y280-P282 WeakPolarHBondContact CE1-O 3.2Å; Y280-L283 HydrophobicContact CD1-CD2 3.91Å; Y280-L283 HydrophobicContact CD1-CG 4.38Å; Y280-L283 WeakPolarHBondContact O-CD1 3.42Å; Y280-L283 WeakPolarHBondContact O-CG 3.37Å; Y280-N309 PolarHBondContact N-O 3.19Å; Y280-N309 VanDerWaalsContact N-O 3.11Å; Y280-M311 VanDerWaalsContact CB-CE 3.46Å; Y280-M311 HydrophobicContact CG-CE 4.43Å; Y280-G382 WeakPolarHBondContact CD2-O 3.32Å; Y280-L383 HydrophobicContact CD2-CB 4.15Å; Y280-L383 HydrophobicContact CD2-CD1 4.09Å
281T90Very high76.8Confident4 Ų451.3 Ų51.33%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-152.7142.2172.2-162.20000110V300 R303 L304 S381 G382T281-V300 HydrophobicContact CG2-CB 4.39Å; T281-V300 HydrophobicContact CG2-CG1 3.77Å; T281-R303 HydrophobicContact CG2-CB 4.13Å; T281-L304 HydrophobicContact CG2-CD2 3.84Å; T281-L304 HydrophobicContact CG2-CG 3.93Å; T281-S381 CarbonylContact O-C 3.58Å; T281-S381 WeakPolarHBondContact O-CA 3.46Å; T281-G382 PolarHBondContact N-O 3.21Å; T281-G382 PolarHBondContact O-N 2.95Å
282P85.3Confident75Confident24 Ų2451.3 Ų51.316%0.15629%0.293CS..  cis-74.9148-1.530.2-31.7000113.3Y280 T284 H378Y280-P282 WeakPolarHBondContact CD1-O 3.45Å; Y280-P282 VanDerWaalsContact CE1-O 3.28Å; Y280-P282 WeakPolarHBondContact CE1-O 3.2Å; P282-T284 HydrophobicContact CB-CG2 4.45Å; P282-H378 HydrophobicContact CG-CB 3.97Å; P282-H378 VanDerWaalsContact CG-CD2 3.42Å; P282-H378 WeakPolarHBondContact CG-CD2 3.44Å; P282-H378 VanDerWaalsContact CG-CG 3.48Å
283L75.4Confident73.3Confident5 Ų556.2 Ų56.23%0.02631%0.311CS..  trans-112.387.9168.2-68.9166.5000106.2I220 R224 L238 Y280 N309 M311I220-L283 HydrophobicContact CD1-CD1 4.34Å; I220-L283 HydrophobicContact CG2-CD1 3.86Å; I220-L283 HydrophobicContact CG2-CD2 4.1Å; I220-L283 HydrophobicContact CG2-CG 4.43Å; R224-L283 HydrophobicContact CB-CB 4.41Å; L238-L283 HydrophobicContact CD2-CD2 4.15Å; Y280-L283 HydrophobicContact CD1-CD2 3.91Å; Y280-L283 HydrophobicContact CD1-CG 4.38Å; Y280-L283 WeakPolarHBondContact O-CD1 3.42Å; Y280-L283 WeakPolarHBondContact O-CG 3.37Å; L283-N309 HydrophobicContact CD1-CB 4.5Å; L283-M311 HydrophobicContact CD2-CE 3.97Å
284T68Low72Confident53 Ų5364.3 Ų64.333%0.32535%0.347SS..  trans-146.5144.3-177.2550000108.5P282 H378P282-T284 HydrophobicContact CB-CG2 4.45Å; T284-H378 PolarHBondContact OG1-NE2 2.88Å
285T58.5Low71Confident51 Ų5166.3 Ų66.331%0.31336%0.359SS..  trans-71.4146.6170.2490000110.7L225 Q287 S288L225-T285 HydrophobicContact CB-CG2 3.98Å; L225-T285 HydrophobicContact CD2-CG2 4.03Å; L225-T285 WeakPolarHBondContact O-CG2 3.47Å; T285-Q287 PolarHBondContact O-N 3.01Å; T285-S288 PolarHBondContact O-N 2.83Å; T285-S288 PolarHBondContact O-OG 2.83Å
286D53.5Low70.4Confident142 Ų14269.4 Ų69.476%0.75938%0.378SS*.THydrogen-bonded Turntrans-57.8-17.1-179.9-66.3-41.9000113.6S288D286-S288 VanDerWaalsContact C-N 3.34Å
287Q44.2Very low69.8Low180 Ų18069.9 Ų69.984%0.84138%0.381SS*.THydrogen-bonded Turntrans-75.6-19.3176-69.4-173.1-7.100113.9T285 V289T285-Q287 PolarHBondContact O-N 3.01Å; Q287-V289 PolarHBondContact O-N 2.9Å; Q287-V289 VanDerWaalsContact O-N 3.07Å
288S48.8Very low69.4Low48 Ų4871.1 Ų71.134%0.33639%0.387SS..  trans-86.380177.862.90000110.4T285 D286 A290T285-S288 PolarHBondContact O-N 2.83Å; T285-S288 PolarHBondContact O-OG 2.83Å; D286-S288 VanDerWaalsContact C-N 3.34Å; S288-A290 PolarHBondContact O-N 2.83Å
289V48.9Very low69.1Low125 Ų12572.9 Ų72.976%0.75840%0.397SS*.  trans-68.664.8163.1-165.10000108.1Q287 S291Q287-V289 PolarHBondContact O-N 2.9Å; Q287-V289 VanDerWaalsContact O-N 3.07Å; V289-S291 PolarHBondContact O-N 3.42Å; V289-S291 VanDerWaalsContact O-N 3.13Å
290A48.4Very low68.9Low72 Ų7273 Ų7360%0.59540%0.397SS*.  trans-62.6119.4174.700000107S288 V292S288-A290 PolarHBondContact O-N 2.83Å; A290-V292 PolarHBondContact O-N 2.95Å
291S45.6Very low68.7Low110 Ų11071.6 Ų71.677%0.76939%0.392SS*.  trans-26.7112.2172.259.40000110.5V289 R293V289-S291 PolarHBondContact O-N 3.42Å; V289-S291 VanDerWaalsContact O-N 3.13Å; S291-R293 PolarHBondContact O-N 3.28Å
292V50.5Low68.7Low109 Ų10975.8 Ų75.866%0.66141%0.407SS*.  trans-59.981.8-166.4-175.90000110.7A290 K294A290-V292 PolarHBondContact O-N 2.95Å; V292-K294 PolarHBondContact O-N 2.7Å
293R56.1Low69Low226 Ų22678.8 Ų78.885%0.85342%0.416SS*.  trans-68.4118.7160.3-117.6-179-179.1174.21.4104.9S291 T295S291-R293 PolarHBondContact O-N 3.28Å; R293-T295 VanDerWaalsContact C-N 3.3Å; R293-T295 PolarHBondContact O-N 3.17Å; R293-T295 PolarHBondContact O-OG1 2.82Å
294K68.1Low69.8Low171 Ų17178.6 Ų78.674%0.74341%0.414SS*.  trans-54.596.2175.4-164.5175.8-175.61790108.1V292 T296V292-K294 PolarHBondContact O-N 2.7Å; K294-T296 PolarHBondContact O-N 3.41Å
295T77.5Confident70.8Confident44 Ų4477.2 Ų77.227%0.2741%0.405SS..  trans-74.4118.6-177.1-66.90000107R293 D299 V300R293-T295 VanDerWaalsContact C-N 3.3Å; R293-T295 PolarHBondContact O-N 3.17Å; R293-T295 PolarHBondContact O-OG1 2.82Å; T295-D299 HydrophobicContact CG2-CB 4Å; T295-V300 HydrophobicContact CG2-CG2 3.77Å
296T83.9Confident72.2Confident64 Ų6477.7 Ų77.739%0.39340%0.404SS..  trans-85.7161.2-179.368.10000111K294 L298 D299 V300K294-T296 PolarHBondContact O-N 3.41Å; T296-L298 PolarHBondContact O-N 3.32Å; T296-D299 WeakPolarHBondContact CB-OD2 3.18Å; T296-D299 PolarHBondContact N-OD2 3.41Å; T296-D299 WeakPolarHBondContact O-CA 3.38Å; T296-D299 WeakPolarHBondContact O-CB 3.38Å; T296-D299 PolarHBondContact O-N 2.78Å; T296-D299 PolarHBondContact OG1-N 2.64Å; T296-D299 PolarHBondContact OG1-OD2 3.05Å; T296-V300 PolarHBondContact O-N 3.42Å
297V86.3Confident73.7Confident11 Ų1174 Ų747%0.06739%0.387CS..Hα-helixtrans-52-41.8171.3174.40000111.6D299 V300 M301 I331 V335 Q339 V340V297-D299 VanDerWaalsContact C-N 3.31Å; V297-D299 PolarHBondContact O-N 3.24Å; V297-V300 PolarHBondContact O-N 2.79Å; V297-M301 HydrophobicContact CG1-CG 4.3Å; V297-M301 HydrophobicContact CG1-SD 3.91Å; V297-M301 WeakPolarHBondContact O-CG 3.38Å; V297-M301 PolarHBondContact O-N 3.44Å; V297-I331 HydrophobicContact CG1-CD1 3.75Å; V297-V335 HydrophobicContact CG2-CB 4.19Å; V297-V335 HydrophobicContact CG2-CG1 3.32Å; V297-V335 HydrophobicContact CG2-CG2 3.9Å; V297-Q339 HydrophobicContact CG2-CB 4.42Å; V297-V340 HydrophobicContact CG1-CG2 4.18Å
298L86.1Confident75.7Confident25 Ų2571.1 Ų71.113%0.13137%0.372CS..Hα-helixtrans-63.4-36.8177.3178.961.6000112.3T296 R302 S343 R346T296-L298 PolarHBondContact O-N 3.32Å; L298-R302 WeakPolarHBondContact O-CB 3.3Å; L298-R302 PolarHBondContact O-N 2.86Å; L298-S343 WeakPolarHBondContact CA-OG 3.31Å; L298-S343 WeakPolarHBondContact CB-OG 3.41Å; L298-S343 PolarHBondContact N-OG 3.19Å; L298-R346 HydrophobicContact CD1-CB 4.18Å
299D88.2Confident77.5Confident37 Ų3768.9 Ų68.920%0.19836%0.357CS..Hα-helixtrans-66-43.4175.3-62.4-53000110.9T295 T296 V297 R302 R303T295-D299 HydrophobicContact CG2-CB 4Å; T296-D299 WeakPolarHBondContact CB-OD2 3.18Å; T296-D299 PolarHBondContact N-OD2 3.41Å; T296-D299 WeakPolarHBondContact O-CA 3.38Å; T296-D299 WeakPolarHBondContact O-CB 3.38Å; T296-D299 PolarHBondContact O-N 2.78Å; T296-D299 PolarHBondContact OG1-N 2.64Å; T296-D299 PolarHBondContact OG1-OD2 3.05Å; V297-D299 VanDerWaalsContact C-N 3.31Å; V297-D299 PolarHBondContact O-N 3.24Å; D299-R302 PolarHBondContact O-N 2.67Å; D299-R302 IonicContact OD1-CZ 3.07Å; D299-R302 IonicContact OD1-NH1 3.86Å; D299-R302 IonicContact OD1-NH2 3.46Å; D299-R302 PolarHBondContact OD1-NH2 3.25Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 WeakPolarHBondContact O-CG 3.47Å; D299-R303 PolarHBondContact O-N 2.97Å
300V89.9Confident79.5Confident2 Ų263 Ų631%0.01232%0.321CS..Hα-helixtrans-60.2-55.7176.6171.60000110.4T281 T295 T296 V297 R302 R303 L304 V380T281-V300 HydrophobicContact CG2-CB 4.39Å; T281-V300 HydrophobicContact CG2-CG1 3.77Å; T295-V300 HydrophobicContact CG2-CG2 3.77Å; T296-V300 PolarHBondContact O-N 3.42Å; V297-V300 PolarHBondContact O-N 2.79Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 3.01Å; V300-R303 WeakPolarHBondContact O-CB 3.38Å; V300-R303 PolarHBondContact O-N 2.84Å; V300-L304 HydrophobicContact CG1-CD1 4.13Å; V300-L304 HydrophobicContact CG1-CG 4.47Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 2.83Å; V300-V380 HydrophobicContact CG2-CB 4.36Å; V300-V380 HydrophobicContact CG2-CG1 3.91Å
301M90.2Very high81.4Confident0 Ų059.7 Ų59.70%029%0.293CS..Hα-helixtrans-61.7-36.3-178.3-64.117876.300112.7V297 L304 L305 I331 S343 L344 I347 V365V297-M301 HydrophobicContact CG1-CG 4.3Å; V297-M301 HydrophobicContact CG1-SD 3.91Å; V297-M301 WeakPolarHBondContact O-CG 3.38Å; V297-M301 PolarHBondContact O-N 3.44Å; M301-L304 PolarHBondContact O-N 2.87Å; M301-L305 PolarHBondContact O-N 3.15Å; M301-I331 HydrophobicContact CG-CD1 3.78Å; M301-I331 HydrophobicContact SD-CD1 4.17Å; M301-S343 VanDerWaalsContact SD-CB 3.54Å; M301-L344 HydrophobicContact CE-CD2 3.61Å; M301-L344 HydrophobicContact CE-CG 3.98Å; M301-I347 HydrophobicContact CB-CD1 3.71Å; M301-I347 HydrophobicContact CE-CD1 3.63Å; M301-I347 HydrophobicContact SD-CD1 4.25Å; M301-V365 HydrophobicContact CE-CG2 3.63Å; M301-V365 HydrophobicContact SD-CG2 4.46Å
302R89.8Confident83.5Confident92 Ų9254.6 Ų54.635%0.34726%0.257SS..Hα-helixtrans-66.9-41.2174.8-168.6-163.2-33.5147.719.8111.8L298 D299 V300 L304 L305 Q306 L352L298-R302 WeakPolarHBondContact O-CB 3.3Å; L298-R302 PolarHBondContact O-N 2.86Å; D299-R302 PolarHBondContact O-N 2.67Å; D299-R302 IonicContact OD1-CZ 3.07Å; D299-R302 IonicContact OD1-NH1 3.86Å; D299-R302 IonicContact OD1-NH2 3.46Å; D299-R302 PolarHBondContact OD1-NH2 3.25Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 3.01Å; R302-L304 VanDerWaalsContact C-N 3.33Å; R302-L305 PolarHBondContact O-N 3.36Å; R302-Q306 WeakPolarHBondContact O-CG 3.44Å; R302-L352 HydrophobicContact CG-CD1 4.33Å
303R90.9Very high85.2Confident88 Ų8850.1 Ų50.133%0.33223%0.231SC..Hα-helixtrans-64-40176.4-74.8169-172.2173.45.3110.5T281 D299 V300 L305 Q306 N309T281-R303 HydrophobicContact CG2-CB 4.13Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 WeakPolarHBondContact O-CG 3.47Å; D299-R303 PolarHBondContact O-N 2.97Å; V300-R303 WeakPolarHBondContact O-CB 3.38Å; V300-R303 PolarHBondContact O-N 2.84Å; R303-L305 VanDerWaalsContact C-N 3.26Å; R303-L305 PolarHBondContact O-N 3.23Å; R303-Q306 VanDerWaalsContact O-CB 3.31Å; R303-Q306 WeakPolarHBondContact O-CB 3.37Å; R303-Q306 PolarHBondContact O-N 3.28Å; R303-N309 PolarHBondContact O-ND2 2.91Å
304L92.2Very high86.5Confident0 Ų040.3 Ų40.30%020%0.196CC..Hα-helixtrans-58.5-35.9178.1-74.2176.1000113.5G279 T281 V300 M301 R302 Q306 N329 G382 M384G279-L304 WeakPolarHBondContact O-CD2 3.41Å; T281-L304 HydrophobicContact CG2-CD2 3.84Å; T281-L304 HydrophobicContact CG2-CG 3.93Å; V300-L304 HydrophobicContact CG1-CD1 4.13Å; V300-L304 HydrophobicContact CG1-CG 4.47Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 2.83Å; M301-L304 PolarHBondContact O-N 2.87Å; R302-L304 VanDerWaalsContact C-N 3.33Å; L304-Q306 VanDerWaalsContact C-N 3.28Å; L304-Q306 PolarHBondContact O-N 3.49Å; L304-N329 HydrophobicContact CD1-CB 4.3Å; L304-N329 WeakPolarHBondContact CD1-OD1 3.46Å; L304-G382 WeakPolarHBondContact CD2-O 3.47Å; L304-M384 HydrophobicContact CB-CB 4Å; L304-M384 HydrophobicContact CB-SD 4.41Å; L304-M384 HydrophobicContact CD1-CB 4.19Å; L304-M384 HydrophobicContact CD2-CB 3.96Å; L304-M384 HydrophobicContact CG-CB 4.26Å; L304-M384 VanDerWaalsContact O-CE 3.25Å; L304-M384 WeakPolarHBondContact O-CE 3.46Å
305L89.5Confident86.5Confident25 Ų2533.9 Ų33.913%0.13118%0.178CC..THydrogen-bonded Turntrans-75.8-11.7176-66.8173.6000113.9M301 R302 R303 I327 I347 L352 A353 M384M301-L305 PolarHBondContact O-N 3.15Å; R302-L305 PolarHBondContact O-N 3.36Å; R303-L305 VanDerWaalsContact C-N 3.26Å; R303-L305 PolarHBondContact O-N 3.23Å; L305-I327 HydrophobicContact CD2-CD1 3.77Å; L305-I347 HydrophobicContact CD1-CD1 4.4Å; L305-I347 HydrophobicContact CD1-CG1 4.44Å; L305-I347 HydrophobicContact CD1-CG2 3.88Å; L305-L352 HydrophobicContact CD1-CB 4.08Å; L305-A353 HydrophobicContact CD1-CB 4.4Å; L305-A353 HydrophobicContact CD2-CB 4.15Å; L305-M384 HydrophobicContact CD2-SD 4.05Å
306Q88.1Confident85.7Confident61 Ų6133.8 Ų33.829%0.28517%0.173SC..SBendtrans-75.1130.1-179.7-68.1172-800110.4R302 R303 L304 K308 N309R302-Q306 WeakPolarHBondContact O-CG 3.44Å; R303-Q306 VanDerWaalsContact O-CB 3.31Å; R303-Q306 WeakPolarHBondContact O-CB 3.37Å; R303-Q306 PolarHBondContact O-N 3.28Å; L304-Q306 VanDerWaalsContact C-N 3.28Å; L304-Q306 PolarHBondContact O-N 3.49Å; Q306-K308 HydrophobicContact CB-CG 4.12Å; Q306-K308 PolarHBondContact O-N 2.9Å; Q306-N309 PolarHBondContact O-N 3.07Å
307P84.8Confident84.3Confident64 Ų6439.2 Ų39.242%0.41619%0.194SC..G310 helixtrans-53.1-33.2-178.2-28.534.6000114.3N309 V310P307-N309 PolarHBondContact O-N 2.94Å; P307-N309 VanDerWaalsContact O-N 3.16Å; P307-V310 WeakPolarHBondContact O-CB 3.04Å; P307-V310 PolarHBondContact O-N 3.07Å
308K85Confident82.8Confident120 Ų12049.6 Ų49.652%0.52223%0.232SC..G310 helixtrans-65.4-14178.971-178-177.2-171.80115.5Q306Q306-K308 HydrophobicContact CB-CG 4.12Å; Q306-K308 PolarHBondContact O-N 2.9Å
309N88.3Confident81.7Confident1 Ų153.3 Ų53.31%0.00525%0.248CC..G310 helixtrans-107.2-0.6176.3-59.6-39.3000111.6R224 G279 Y280 L283 R303 Q306 P307R224-N309 PolarHBondContact NH1-OD1 2.73Å; G279-N309 CarbonylContact C-O 3.53Å; G279-N309 WeakPolarHBondContact CA-O 3.29Å; Y280-N309 PolarHBondContact N-O 3.19Å; Y280-N309 VanDerWaalsContact N-O 3.11Å; L283-N309 HydrophobicContact CD1-CB 4.5Å; R303-N309 PolarHBondContact O-ND2 2.91Å; Q306-N309 PolarHBondContact O-N 3.07Å; P307-N309 PolarHBondContact O-N 2.94Å; P307-N309 VanDerWaalsContact O-N 3.16Å
310V90.3Very high80.6Confident2 Ų257.3 Ų57.31%0.01228%0.277CS..BIsolated β-bridgetrans-84.6130.1174.9-179.40000108.8T278 P307 V312 M384T278-V310 WeakPolarHBondContact O-CA 3.5Å; P307-V310 WeakPolarHBondContact O-CB 3.04Å; P307-V310 PolarHBondContact O-N 3.07Å; V310-V312 HydrophobicContact CG1-CB 4.38Å; V310-V312 PolarHBondContact O-N 2.96Å; V310-M384 HydrophobicContact CG2-CE 3.98Å
311M88.6Confident80.2Confident1 Ų160.4 Ų60.41%0.00530%0.298CS..SBendtrans-90.627.8-174.4-69.6150.2157.400112.5A216 L217 I220 I242 T278 Y280 L283A216-M311 VanDerWaalsContact CB-O 3.3Å; A216-M311 WeakPolarHBondContact CB-O 3.36Å; L217-M311 HydrophobicContact CD2-CB 4.42Å; L217-M311 HydrophobicContact CD2-CG 4.32Å; I220-M311 HydrophobicContact CD1-CB 4.27Å; I220-M311 HydrophobicContact CD1-CG 3.44Å; I220-M311 VanDerWaalsContact CD1-CG 3.44Å; I242-M311 HydrophobicContact CD1-CE 3.51Å; I242-M311 HydrophobicContact CD1-CG 4.33Å; I242-M311 HydrophobicContact CD1-SD 3.18Å; I242-M311 WeakPolarHBondContact CD1-SD 3.3Å; I242-M311 HydrophobicContact CG1-CE 3.72Å; I242-M311 HydrophobicContact CG1-SD 3.59Å; I242-M311 VanDerWaalsContact CG1-SD 3.59Å; T278-M311 PolarHBondContact O-N 3.34Å; Y280-M311 VanDerWaalsContact CB-CE 3.46Å; Y280-M311 HydrophobicContact CG-CE 4.43Å; L283-M311 HydrophobicContact CD2-CE 3.97Å
312V89.7Confident80.3Confident3 Ų361.2 Ų61.22%0.01830%0.302CS..SBendtrans-140.5126.7177.8-171.50000110.4V211 D213 M277 V310 T314 I391 L394V211-V312 HydrophobicContact CB-CG2 4.48Å; V211-V312 HydrophobicContact CG1-CG1 4.43Å; V211-V312 HydrophobicContact CG1-CG2 4.3Å; D213-V312 HydrophobicContact CB-CG1 4.28Å; M277-V312 HydrophobicContact CB-CB 4.12Å; M277-V312 HydrophobicContact CB-CG2 3.57Å; V310-V312 HydrophobicContact CG1-CB 4.38Å; V310-V312 PolarHBondContact O-N 2.96Å; V312-T314 VanDerWaalsContact C-N 3.32Å; V312-T314 HydrophobicContact CG1-CG2 3.85Å; V312-T314 PolarHBondContact O-N 3.16Å; V312-I391 HydrophobicContact CG1-CD1 3.75Å; V312-L394 HydrophobicContact CG1-CD1 3.57Å; V312-L394 HydrophobicContact CG1-CG 4.32Å
313S86.8Confident80.4Confident15 Ų1556.9 Ų56.911%0.10529%0.286CS..  trans-8175.9-176.4-52.70000111.2D213 A216D213-S313 WeakPolarHBondContact OD2-CA 3.45Å; D213-S313 WeakPolarHBondContact OD2-CB 3.35Å; D213-S313 PolarHBondContact OD2-N 3.03Å; D213-S313 PolarHBondContact OD2-OG 3.06Å; A216-S313 WeakPolarHBondContact CA-OG 3.09Å; A216-S313 WeakPolarHBondContact CB-OG 3.18Å; A216-S313 PolarHBondContact N-OG 2.96Å
314T81.8Confident80.5Confident21 Ų2153.1 Ų53.113%0.12927%0.272CS..  trans-101.4140.3174.656.40000110.5M277 V312 R316 S390M277-T314 HydrophobicContact CE-CG2 3.83Å; V312-T314 VanDerWaalsContact C-N 3.32Å; V312-T314 HydrophobicContact CG1-CG2 3.85Å; V312-T314 PolarHBondContact O-N 3.16Å; T314-R316 PolarHBondContact O-N 3.11Å; T314-R316 VanDerWaalsContact OG1-CG 3.24Å; T314-R316 WeakPolarHBondContact OG1-CG 3.35Å; T314-R316 PolarHBondContact OG1-NE 3.39Å; T314-S390 VanDerWaalsContact CB-OG 3.3Å; T314-S390 WeakPolarHBondContact CB-OG 3.44Å; T314-S390 VanDerWaalsContact CG2-O 3.24Å; T314-S390 WeakPolarHBondContact CG2-O 3.38Å; T314-S390 PolarHBondContact OG1-OG 3.07Å; T314-S390 VanDerWaalsContact OG1-OG 3.07Å
315G68.4Low80.7Confident35 Ų3553.3 Ų53.336%0.36127%0.273SS..  trans-73.543.1-179.200000114E317 R318G315-E317 PolarHBondContact O-N 3.07Å; G315-R318 PolarHBondContact O-N 2.91Å
316R61.7Low81Confident42 Ų4252.2 Ų52.216%0.15827%0.267CS..THydrogen-bonded Turntrans-53.5-32.8-170.7-63.9-171.3177.9-170.14.1113.7M277 T314 R318M277-R316 PolarHBondContact SD-NH2 3.11Å; T314-R316 PolarHBondContact O-N 3.11Å; T314-R316 VanDerWaalsContact OG1-CG 3.24Å; T314-R316 WeakPolarHBondContact OG1-CG 3.35Å; T314-R316 PolarHBondContact OG1-NE 3.39Å; R316-R318 VanDerWaalsContact C-N 3.27Å; R316-R318 PolarHBondContact O-N 2.91Å
317E53.3Low81.3Confident179 Ų17949.4 Ų49.484%0.83625%0.254SS*.THydrogen-bonded Turntrans-72.5-20.2-179.8-65178.717500113.2G315G315-E317 PolarHBondContact O-N 3.07Å
318R54.6Low81.8Confident228 Ų22846.4 Ų46.486%0.8624%0.235SC*.THydrogen-bonded Turntrans-96.5-14-175.6-62.7-176.1-179.5-179.30.6113.6G315 R316G315-R318 PolarHBondContact O-N 2.91Å; R316-R318 VanDerWaalsContact C-N 3.27Å; R316-R318 PolarHBondContact O-N 2.91Å
319Q63.3Low82.2Confident103 Ų10340.8 Ų40.848%0.48121%0.21SC..  trans-135.890.9-178.5-67.4-165.99.600111.4S321 H322Q319-S321 PolarHBondContact O-N 2.85Å; Q319-S321 VanDerWaalsContact O-N 3.15Å; Q319-H322 PolarHBondContact O-N 3.49Å; Q319-H322 PolarHBondContact OE1-NE2 2.91Å; Q319-H322 VanDerWaalsContact OE1-NE2 3.09Å
320P65.4Low82.3Confident122 Ų12240.7 Ų40.779%0.79221%0.21SC*.THydrogen-bonded Turntrans-70.2-7.7-176.929-34.7000113.7H322P320-H322 VanDerWaalsContact C-N 3.32Å
321S82.9Confident82.4Confident67 Ų6740.6 Ų40.647%0.46921%0.21SC..THydrogen-bonded Turntrans-72.6-21.7178.151.20000113.6Q319 T446Q319-S321 PolarHBondContact O-N 2.85Å; Q319-S321 VanDerWaalsContact O-N 3.15Å; S321-T446 WeakPolarHBondContact O-CB 3.27Å
322H90.9Very high82.3Confident17 Ų1741.4 Ų41.48%0.07921%0.213CC..  trans-68.5149-179.6-68.6-51.1000112.5Q319 P320 N354 T389 S390Q319-H322 PolarHBondContact O-N 3.49Å; Q319-H322 PolarHBondContact OE1-NE2 2.91Å; Q319-H322 VanDerWaalsContact OE1-NE2 3.09Å; P320-H322 VanDerWaalsContact C-N 3.32Å; H322-N354 PolarHBondContact O-ND2 3.49Å; H322-N354 VanDerWaalsContact O-ND2 3.1Å; H322-T389 VanDerWaalsContact CA-OG1 3.29Å; H322-T389 WeakPolarHBondContact CA-OG1 3.28Å; H322-T389 VanDerWaalsContact CB-OG1 3.31Å; H322-T389 WeakPolarHBondContact CB-OG1 3.44Å; H322-T389 PolarHBondContact ND1-OG1 3.3Å; H322-T389 VanDerWaalsContact ND1-OG1 3.17Å; H322-S390 VanDerWaalsContact CD2-CB 3.49Å; H322-S390 WeakPolarHBondContact CD2-CB 3.26Å
323C92.3Very high81.9Confident1 Ų142.4 Ų42.41%0.00722%0.224CC..  trans-144.3159.9-175.757.30000112.3H388 T389C323-H388 PolarHBondContact O-CD2 2.76Å; C323-H388 VanDerWaalsContact O-CD2 3.32Å; C323-T389 PolarHBondContact N-OG1 3.23Å; C323-T389 PolarHBondContact O-N 2.94Å; C323-T389 PolarHBondContact O-OG1 3.2Å
324H94.1Very high81.5Confident9 Ų950.4 Ų50.44%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-77.7129.3170.1-72.2-80.7000110.2I327 N354 F355 I356 H388H324-I327 HydrophobicContact CB-CD1 4.22Å; H324-I327 HydrophobicContact CB-CG1 4.16Å; H324-I327 WeakPolarHBondContact ND1-CD1 3.06Å; H324-I327 WeakPolarHBondContact ND1-CG1 3.31Å; H324-N354 WeakPolarHBondContact CB-O 3.41Å; H324-N354 PolarHBondContact CD2-O 3.48Å; H324-N354 PolarHBondContact N-O 2.86Å; H324-F355 HydrophobicContact CB-CD1 3.67Å; H324-F355 HydrophobicContact CB-CE1 3.63Å; H324-F355 HydrophobicContact CB-CG 4.32Å; H324-F355 HydrophobicContact CB-CZ 4.25Å; H324-F355 CarbonylContact O-C 3.58Å; H324-F355 VanDerWaalsContact O-CA 3.29Å; H324-F355 WeakPolarHBondContact O-CA 3.3Å; H324-F355 WeakPolarHBondContact O-CD1 3.22Å; H324-I356 PolarHBondContact O-N 3.35Å; H324-H388 AromaticContact CD2-CD2 3.54Å; H324-H388 AromaticContact CE1-CD2 3.49Å; H324-H388 PolarHBondContact CE1-CD2 3.01Å; H324-H388 VanDerWaalsContact CE1-CD2 3.49Å; H324-H388 AromaticContact CG-CD2 3.53Å; H324-H388 PolarHBondContact N-CD2 3.03Å; H324-H388 AromaticContact ND1-CD2 3.48Å; H324-H388 PolarHBondContact ND1-CD2 2.89Å; H324-H388 AromaticContact NE2-CD2 3.53Å
325I95.4Very high81.4Confident3 Ų350.8 Ų50.82%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-80.8-49.8165.9-67.2162.6000108.4P269 L273 I356 N387 T389P269-I325 HydrophobicContact CG-CG2 3.34Å; L273-I325 HydrophobicContact CB-CD1 4.2Å; L273-I325 HydrophobicContact CD1-CD1 3.78Å; I325-I356 HydrophobicContact CB-CG2 4.36Å; I325-I356 HydrophobicContact CG1-CG2 3.66Å; I325-N387 HydrophobicContact CB-CB 4.15Å; I325-N387 PolarHBondContact N-O 3.45Å; I325-T389 HydrophobicContact CD1-CG2 4.16Å; I325-T389 HydrophobicContact CG1-CG2 4.33Å
326A95.4Very high82Confident2 Ų252.7 Ų52.72%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-151.7153.8178.900000111.9L267 A386 N387L267-A326 HydrophobicContact CD2-CB 4.38Å; A326-A386 WeakPolarHBondContact O-CA 3.28Å; A326-N387 HydrophobicContact CB-CB 4.42Å; A326-N387 PolarHBondContact N-O 3.14Å; A326-N387 PolarHBondContact O-N 2.87Å
327I95.3Very high83.1Confident3 Ų354.8 Ų54.82%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-135.2130.2173.9-57.3-179.2000109.3L305 H324 A353 F355 S362 I363 Q364 M384 A386L305-I327 HydrophobicContact CD2-CD1 3.77Å; H324-I327 HydrophobicContact CB-CD1 4.22Å; H324-I327 HydrophobicContact CB-CG1 4.16Å; H324-I327 WeakPolarHBondContact ND1-CD1 3.06Å; H324-I327 WeakPolarHBondContact ND1-CG1 3.31Å; I327-A353 HydrophobicContact CD1-CB 4.34Å; I327-F355 HydrophobicContact CD1-CE1 4.11Å; I327-F355 HydrophobicContact CD1-CZ 3.77Å; I327-F355 HydrophobicContact CG1-CE1 4.17Å; I327-F355 HydrophobicContact CG1-CZ 4.32Å; I327-S362 PolarHBondContact N-O 2.81Å; I327-I363 HydrophobicContact CB-CG2 4.44Å; I327-I363 CarbonylContact O-C 3.08Å; I327-I363 WeakPolarHBondContact O-CA 3.22Å; I327-Q364 PolarHBondContact O-N 2.79Å; I327-M384 HydrophobicContact CG2-CG 3.8Å; I327-M384 HydrophobicContact CG2-SD 4.1Å; I327-A386 HydrophobicContact CG1-CB 4.32Å
328L93.9Very high84.6Confident0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-116.2122.1166.717766000109.1L263 L267 I330 Q364 A366 M384 M385L263-L328 HydrophobicContact CD2-CD2 3.35Å; L267-L328 HydrophobicContact CD1-CB 4.06Å; L267-L328 HydrophobicContact CD1-CD2 4.01Å; L267-L328 HydrophobicContact CD2-CB 3.7Å; L267-L328 HydrophobicContact CG-CB 4.03Å; L328-I330 HydrophobicContact CD2-CD1 4.44Å; L328-I330 HydrophobicContact CD2-CG1 4.27Å; L328-I330 HydrophobicContact CG-CG1 4.28Å; L328-Q364 WeakPolarHBondContact CA-O 3.43Å; L328-Q364 HydrophobicContact CD1-CB 3.72Å; L328-A366 HydrophobicContact CD1-CB 4.33Å; L328-M384 CarbonylContact O-C 3.39Å; L328-M384 WeakPolarHBondContact O-CA 3.26Å; L328-M385 HydrophobicContact CB-CB 4.47Å; L328-M385 PolarHBondContact N-O 2.86Å; L328-M385 PolarHBondContact O-N 3.49Å
329N93.4Very high86.1Confident2 Ų243 Ų431%0.01124%0.243CC..EExtended strand (participates in β ladder)trans-104.3115.5170.8-66.4-49.4000109.8L304 I331 Q364 V365 A366 L383 M384L304-N329 HydrophobicContact CD1-CB 4.3Å; L304-N329 WeakPolarHBondContact CD1-OD1 3.46Å; N329-I331 HydrophobicContact CB-CG1 4.43Å; N329-Q364 PolarHBondContact N-O 2.92Å; N329-V365 HydrophobicContact CB-CG2 4.39Å; N329-V365 CarbonylContact O-C 3.55Å; N329-V365 VanDerWaalsContact O-CA 3.28Å; N329-V365 WeakPolarHBondContact O-CA 3.21Å; N329-A366 PolarHBondContact O-N 3.14Å; N329-L383 CarbonylContact C-O 3.53Å; N329-L383 VanDerWaalsContact CA-O 3.31Å; N329-L383 WeakPolarHBondContact CA-O 3.19Å; N329-M384 WeakPolarHBondContact OD1-CB 3.38Å; N329-M384 WeakPolarHBondContact OD1-CG 3.49Å
330I92.1Very high87.2Confident0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-91.5110.6169.9-57.2175.7000106.9A245 T249 L328 Q332 A366 G382 L383 M385A245-I330 WeakPolarHBondContact O-CD1 3.39Å; T249-I330 HydrophobicContact CG2-CD1 4.31Å; T249-I330 HydrophobicContact CG2-CG1 4.43Å; T249-I330 HydrophobicContact CG2-CG2 4.36Å; L328-I330 HydrophobicContact CD2-CD1 4.44Å; L328-I330 HydrophobicContact CD2-CG1 4.27Å; L328-I330 HydrophobicContact CG-CG1 4.28Å; I330-Q332 HydrophobicContact CG2-CG 4.4Å; I330-A366 CarbonylContact C-O 3.6Å; I330-A366 WeakPolarHBondContact CA-O 3.47Å; I330-A366 HydrophobicContact CG1-CB 4.34Å; I330-G382 CarbonylContact O-C 3.5Å; I330-G382 VanDerWaalsContact O-CA 3.3Å; I330-G382 WeakPolarHBondContact O-CA 3.26Å; I330-L383 HydrophobicContact CB-CB 4.43Å; I330-L383 HydrophobicContact CD1-CD2 4.39Å; I330-L383 PolarHBondContact N-O 3.47Å; I330-L383 PolarHBondContact O-N 3.33Å; I330-M385 HydrophobicContact CD1-SD 4.4Å
331I90.7Very high88.2Confident0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-105.5122.7-179.6-53.2-176.7000108V297 M301 N329 V335 V365 A366 L367 S368 V380V297-I331 HydrophobicContact CG1-CD1 3.75Å; M301-I331 HydrophobicContact CG-CD1 3.78Å; M301-I331 HydrophobicContact SD-CD1 4.17Å; N329-I331 HydrophobicContact CB-CG1 4.43Å; I331-V335 HydrophobicContact CG2-CG2 3.81Å; I331-V365 HydrophobicContact CD1-CG1 3.74Å; I331-V365 HydrophobicContact CG1-CG1 4.02Å; I331-A366 PolarHBondContact N-O 3.26Å; I331-L367 HydrophobicContact CB-CD2 3.99Å; I331-S368 PolarHBondContact O-N 3.28Å; I331-V380 HydrophobicContact CG2-CG1 3.6Å
332Q86.9Confident88.5Confident18 Ų1841.1 Ų41.18%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-108.7131.7-178.3-59.5167.9-39.900109.8T248 I330 S368 V380 S381T248-Q332 HydrophobicContact CG2-CG 4.47Å; T248-Q332 PolarHBondContact OG1-NE2 3.32Å; I330-Q332 HydrophobicContact CG2-CG 4.4Å; Q332-S368 WeakPolarHBondContact CA-O 3.45Å; Q332-V380 WeakPolarHBondContact O-CA 3.44Å; Q332-S381 WeakPolarHBondContact CB-OG 3.27Å; Q332-S381 PolarHBondContact N-O 2.9Å; Q332-S381 PolarHBondContact O-N 2.78Å; Q332-S381 PolarHBondContact OE1-OG 2.96Å
333G81.9Confident88.4Confident23 Ų2340.4 Ų40.424%0.23721%0.212CC..EExtended strand (participates in β ladder)trans129.2-171.8175.500000113.8V335 S368G333-V335 PolarHBondContact O-N 2.85Å; G333-V335 VanDerWaalsContact O-N 3.1Å; G333-S368 PolarHBondContact N-O 3.43Å
334E77.5Confident88.2Confident184 Ų18441.7 Ų41.786%0.8622%0.219SC*.SBendtrans-76.498.4178.8-69.7-172.116600110.8
335V79.6Confident87.8Confident28 Ų2845.6 Ų45.617%0.1724%0.237CC..  trans-123.3129.8-175.41730000111.3V297 I331 G333 P337 V340 L367 V380V297-V335 HydrophobicContact CG2-CB 4.19Å; V297-V335 HydrophobicContact CG2-CG1 3.32Å; V297-V335 HydrophobicContact CG2-CG2 3.9Å; I331-V335 HydrophobicContact CG2-CG2 3.81Å; G333-V335 PolarHBondContact O-N 2.85Å; G333-V335 VanDerWaalsContact O-N 3.1Å; V335-P337 WeakPolarHBondContact O-CD 3.45Å; V335-V340 HydrophobicContact CG1-CG2 3.81Å; V335-L367 HydrophobicContact CB-CD2 4.09Å; V335-L367 HydrophobicContact CG1-CD1 4.24Å; V335-L367 HydrophobicContact CG1-CD2 3.74Å; V335-V380 HydrophobicContact CG2-CG1 4.1Å; V335-V380 HydrophobicContact CG2-CG2 4.36Å
336D82.3Confident87.5Confident75 Ų7551.4 Ų51.440%0.40126%0.259SS..  trans-75.5117.3167.5173.30.3000110.1T338 Q339D336-T338 PolarHBondContact O-N 2.89Å; D336-T338 VanDerWaalsContact O-N 3.15Å; D336-T338 WeakPolarHBondContact OD1-CB 3.44Å; D336-T338 WeakPolarHBondContact OD1-CG2 3.5Å; D336-T338 PolarHBondContact OD1-N 3.3Å; D336-T338 PolarHBondContact OD1-OG1 2.91Å; D336-T338 PolarHBondContact OD2-OG1 3.49Å; D336-Q339 HydrophobicContact CB-CG 3.89Å; D336-Q339 WeakPolarHBondContact O-CB 3.41Å; D336-Q339 PolarHBondContact O-N 2.83Å
337P83.4Confident87.1Confident87 Ų8751.5 Ų51.557%0.56526%0.259SS*.Hα-helixtrans-56.9-28.9179.4-25.435.3000114.1V335 Q339 V340 H341 L367V335-P337 WeakPolarHBondContact O-CD 3.45Å; P337-Q339 PolarHBondContact O-N 3.05Å; P337-V340 WeakPolarHBondContact O-CB 3.35Å; P337-V340 PolarHBondContact O-N 3.41Å; P337-V340 VanDerWaalsContact O-N 3.14Å; P337-H341 PolarHBondContact O-N 3.08Å; P337-L367 HydrophobicContact CB-CD1 4.39Å; P337-L367 HydrophobicContact CG-CD1 4.16Å
338T86.3Confident86.6Confident78 Ų7858.2 Ų58.248%0.47928%0.284SS..Hα-helixtrans-66.4-28.6178.573.60000112D336 V340 K342D336-T338 PolarHBondContact O-N 2.89Å; D336-T338 VanDerWaalsContact O-N 3.15Å; D336-T338 WeakPolarHBondContact OD1-CB 3.44Å; D336-T338 WeakPolarHBondContact OD1-CG2 3.5Å; D336-T338 PolarHBondContact OD1-N 3.3Å; D336-T338 PolarHBondContact OD1-OG1 2.91Å; D336-T338 PolarHBondContact OD2-OG1 3.49Å; T338-V340 VanDerWaalsContact C-N 3.35Å; T338-K342 PolarHBondContact O-N 3.43Å
339Q85.3Confident86.2Confident82 Ų8264.1 Ų64.138%0.38331%0.312SS..Hα-helixtrans-73.9-27.9176.2-59-62.8-32.200112V297 D336 P337 S343V297-Q339 HydrophobicContact CG2-CB 4.42Å; D336-Q339 HydrophobicContact CB-CG 3.89Å; D336-Q339 WeakPolarHBondContact O-CB 3.41Å; D336-Q339 PolarHBondContact O-N 2.83Å; P337-Q339 PolarHBondContact O-N 3.05Å; Q339-S343 VanDerWaalsContact O-CB 3.3Å; Q339-S343 WeakPolarHBondContact O-CB 3.43Å; Q339-S343 PolarHBondContact O-N 3.03Å; Q339-S343 PolarHBondContact O-OG 3.37Å
340V86.7Confident85.9Confident14 Ų1472.1 Ų72.19%0.08534%0.342CS..Hα-helixtrans-64.3-48.8176.7-179.90000110.2V297 V335 P337 T338 K342 S343 L344 V365 L367V297-V340 HydrophobicContact CG1-CG2 4.18Å; V335-V340 HydrophobicContact CG1-CG2 3.81Å; P337-V340 WeakPolarHBondContact O-CB 3.35Å; P337-V340 PolarHBondContact O-N 3.41Å; P337-V340 VanDerWaalsContact O-N 3.14Å; T338-V340 VanDerWaalsContact C-N 3.35Å; V340-K342 PolarHBondContact O-N 3.36Å; V340-S343 WeakPolarHBondContact O-CB 3.4Å; V340-S343 PolarHBondContact O-N 2.83Å; V340-S343 VanDerWaalsContact O-N 3.09Å; V340-L344 HydrophobicContact CG1-CD1 4.14Å; V340-L344 PolarHBondContact O-N 2.92Å; V340-V365 HydrophobicContact CG1-CB 3.73Å; V340-V365 HydrophobicContact CG1-CG1 3.65Å; V340-V365 HydrophobicContact CG1-CG2 3.87Å; V340-L367 HydrophobicContact CG2-CD1 4.11Å; V340-L367 HydrophobicContact CG2-CD2 3.87Å; V340-L367 HydrophobicContact CG2-CG 4.37Å
341H85.6Confident85.5Confident129 Ų12980.7 Ų80.760%0.59738%0.379SS*.Hα-helixtrans-60-46.3178.9-173.577.9000111.8P337 S343 L344 Q345P337-H341 PolarHBondContact O-N 3.08Å; H341-S343 VanDerWaalsContact C-N 3.27Å; H341-S343 PolarHBondContact O-N 2.75Å; H341-L344 PolarHBondContact O-N 3.18Å; H341-Q345 PolarHBondContact O-N 2.87Å
342K89.1Confident85Confident108 Ų10884.6 Ų84.647%0.4740%0.399SS..Hα-helixtrans-60.1-36.8174.7-69.8176.6-177.9172.20112.4T338 V340 R346T338-K342 PolarHBondContact O-N 3.43Å; V340-K342 PolarHBondContact O-N 3.36Å; K342-R346 WeakPolarHBondContact O-CG 3.21Å; K342-R346 PolarHBondContact O-N 3.34Å; K342-R346 VanDerWaalsContact O-N 3.13Å
343S88.8Confident85Confident3 Ų384.3 Ų84.32%0.02140%0.4CS..Hα-helixtrans-70.3-43.2179.8-59.20000111.8L298 M301 Q339 V340 H341 R346 I347L298-S343 WeakPolarHBondContact CA-OG 3.31Å; L298-S343 WeakPolarHBondContact CB-OG 3.41Å; L298-S343 PolarHBondContact N-OG 3.19Å; M301-S343 VanDerWaalsContact SD-CB 3.54Å; Q339-S343 VanDerWaalsContact O-CB 3.3Å; Q339-S343 WeakPolarHBondContact O-CB 3.43Å; Q339-S343 PolarHBondContact O-N 3.03Å; Q339-S343 PolarHBondContact O-OG 3.37Å; V340-S343 WeakPolarHBondContact O-CB 3.4Å; V340-S343 PolarHBondContact O-N 2.83Å; V340-S343 VanDerWaalsContact O-N 3.09Å; H341-S343 VanDerWaalsContact C-N 3.27Å; H341-S343 PolarHBondContact O-N 2.75Å; S343-R346 PolarHBondContact O-N 2.88Å; S343-I347 WeakPolarHBondContact O-CG1 3.36Å; S343-I347 PolarHBondContact O-N 3.28Å
344L88.1Confident85.4Confident28 Ų2887.5 Ų87.515%0.14741%0.412CS..Hα-helixtrans-60.4-45.6174.2-76.4168.5000112M301 V340 H341 R346 I347 R348 I363 V365M301-L344 HydrophobicContact CE-CD2 3.61Å; M301-L344 HydrophobicContact CE-CG 3.98Å; V340-L344 HydrophobicContact CG1-CD1 4.14Å; V340-L344 PolarHBondContact O-N 2.92Å; H341-L344 PolarHBondContact O-N 3.18Å; L344-R346 VanDerWaalsContact C-N 3.35Å; L344-R346 PolarHBondContact O-N 3.26Å; L344-I347 PolarHBondContact O-N 2.75Å; L344-R348 WeakPolarHBondContact O-CG 3.43Å; L344-R348 PolarHBondContact O-N 3.47Å; L344-R348 VanDerWaalsContact O-N 3.1Å; L344-I363 HydrophobicContact CD2-CB 3.95Å; L344-I363 HydrophobicContact CD2-CG2 3.39Å; L344-V365 HydrophobicContact CD1-CG2 3.96Å; L344-V365 HydrophobicContact CD2-CG2 3.86Å; L344-V365 HydrophobicContact CG-CG2 4.06Å
345Q87.3Confident86.1Confident91 Ų9180.3 Ų80.343%0.42538%0.378SS..Hα-helixtrans-58.3-46.9177.2-176179.1-4.700111.3H341 I347 R348 E349H341-Q345 PolarHBondContact O-N 2.87Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; Q345-I347 PolarHBondContact O-N 3.25Å; Q345-R348 PolarHBondContact O-N 2.93Å; Q345-E349 HydrophobicContact CG-CG 4.34Å; Q345-E349 VanDerWaalsContact CG-OE1 3.3Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.44Å; Q345-E349 PolarHBondContact NE2-OE1 3.31Å; Q345-E349 WeakPolarHBondContact O-CG 3.41Å; Q345-E349 PolarHBondContact O-N 3.25Å
346R88Confident86.8Confident125 Ų12579.5 Ų79.547%0.47237%0.373SS..Hα-helixtrans-63.1-36.4178.1-75.2176.4177.5-1711.1113.6L298 K342 S343 L344 R348 R350L298-R346 HydrophobicContact CD1-CB 4.18Å; K342-R346 WeakPolarHBondContact O-CG 3.21Å; K342-R346 PolarHBondContact O-N 3.34Å; K342-R346 VanDerWaalsContact O-N 3.13Å; S343-R346 PolarHBondContact O-N 2.88Å; L344-R346 VanDerWaalsContact C-N 3.35Å; L344-R346 PolarHBondContact O-N 3.26Å; R346-R348 VanDerWaalsContact C-N 3.34Å; R346-R350 VanDerWaalsContact O-CB 3.31Å; R346-R350 WeakPolarHBondContact O-CB 3.42Å; R346-R350 WeakPolarHBondContact O-CG 3.36Å; R346-R350 PolarHBondContact O-N 3.24Å; R346-R350 VanDerWaalsContact O-N 3.08Å
347I86.5Confident87.3Confident3 Ų379.2 Ų79.22%0.01538%0.375CS..Hα-helixtrans-65.1-41.7176.7-71.9166.1000110.4M301 L305 S343 L344 Q345 K351 L352 I363M301-I347 HydrophobicContact CB-CD1 3.71Å; M301-I347 HydrophobicContact CE-CD1 3.63Å; M301-I347 HydrophobicContact SD-CD1 4.25Å; L305-I347 HydrophobicContact CD1-CD1 4.4Å; L305-I347 HydrophobicContact CD1-CG1 4.44Å; L305-I347 HydrophobicContact CD1-CG2 3.88Å; S343-I347 WeakPolarHBondContact O-CG1 3.36Å; S343-I347 PolarHBondContact O-N 3.28Å; L344-I347 PolarHBondContact O-N 2.75Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; Q345-I347 PolarHBondContact O-N 3.25Å; I347-K351 PolarHBondContact O-N 3.11Å; I347-L352 HydrophobicContact CG1-CD1 4.35Å; I347-L352 HydrophobicContact CG2-CB 4.49Å; I347-L352 PolarHBondContact O-N 2.93Å; I347-I363 HydrophobicContact CG2-CD1 4.07Å
348R84.3Confident87.7Confident145 Ų14577.5 Ų77.555%0.54736%0.357SS..Hα-helixtrans-66.6-50.1176.6-70.1179178.2174.8-1112L344 Q345 R346 R350 K351 I363L344-R348 WeakPolarHBondContact O-CG 3.43Å; L344-R348 PolarHBondContact O-N 3.47Å; L344-R348 VanDerWaalsContact O-N 3.1Å; Q345-R348 PolarHBondContact O-N 2.93Å; R346-R348 VanDerWaalsContact C-N 3.34Å; R348-R350 VanDerWaalsContact C-N 3.32Å; R348-R350 PolarHBondContact O-N 3.07Å; R348-K351 PolarHBondContact O-N 3.09Å; R348-K351 VanDerWaalsContact O-N 3.11Å; R348-I363 HydrophobicContact CG-CD1 4.48Å
349E86.4Confident87.8Confident123 Ų12375.1 Ų75.158%0.57535%0.348SS*.Hα-helixtrans-60-40.3-179.4-74.3172.2179.500112.6Q345 K351Q345-E349 HydrophobicContact CG-CG 4.34Å; Q345-E349 VanDerWaalsContact CG-OE1 3.3Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.44Å; Q345-E349 PolarHBondContact NE2-OE1 3.31Å; Q345-E349 WeakPolarHBondContact O-CG 3.41Å; Q345-E349 PolarHBondContact O-N 3.25Å; E349-K351 VanDerWaalsContact C-N 3.29Å; E349-K351 PolarHBondContact O-N 2.9Å
350R86.4Confident88Confident170 Ų17076.9 Ų76.964%0.64237%0.366SS*.THydrogen-bonded Turntrans-83-3.1179.7-68.7-176.8178.7-156.7-2.3114R346 R348 L352R346-R350 VanDerWaalsContact O-CB 3.31Å; R346-R350 WeakPolarHBondContact O-CB 3.42Å; R346-R350 WeakPolarHBondContact O-CG 3.36Å; R346-R350 PolarHBondContact O-N 3.24Å; R346-R350 VanDerWaalsContact O-N 3.08Å; R348-R350 VanDerWaalsContact C-N 3.32Å; R348-R350 PolarHBondContact O-N 3.07Å; R350-L352 HydrophobicContact CB-CD1 4.36Å; R350-L352 HydrophobicContact CB-CD2 4.01Å; R350-L352 HydrophobicContact CB-CG 3.76Å; R350-L352 PolarHBondContact O-N 3.13Å
351K83.8Confident88.1Confident181 Ų18178 Ų7879%0.78738%0.377SS*.THydrogen-bonded Turntrans47.543.8-176.7-58.8-177178.7-177.50112.4I347 R348 E349 A353I347-K351 PolarHBondContact O-N 3.11Å; R348-K351 PolarHBondContact O-N 3.09Å; R348-K351 VanDerWaalsContact O-N 3.11Å; E349-K351 VanDerWaalsContact C-N 3.29Å; E349-K351 PolarHBondContact O-N 2.9Å; K351-A353 PolarHBondContact O-N 2.88Å
352L81.5Confident88.3Confident81 Ų8173.6 Ų73.642%0.42436%0.361SS..  trans-69.5-13.7-177.6-64.6178.6000113.2R302 L305 I347 R350R302-L352 HydrophobicContact CG-CD1 4.33Å; L305-L352 HydrophobicContact CD1-CB 4.08Å; I347-L352 HydrophobicContact CG1-CD1 4.35Å; I347-L352 HydrophobicContact CG2-CB 4.49Å; I347-L352 PolarHBondContact O-N 2.93Å; R350-L352 HydrophobicContact CB-CD1 4.36Å; R350-L352 HydrophobicContact CB-CD2 4.01Å; R350-L352 HydrophobicContact CB-CG 3.76Å; R350-L352 PolarHBondContact O-N 3.13Å
353A86.4Confident88.4Confident13 Ų1369.2 Ų69.211%0.10734%0.342CS..SBendtrans-132.8134.1175.900000108.9L305 I327 K351 F355L305-A353 HydrophobicContact CD1-CB 4.4Å; L305-A353 HydrophobicContact CD2-CB 4.15Å; I327-A353 HydrophobicContact CD1-CB 4.34Å; K351-A353 PolarHBondContact O-N 2.88Å; A353-F355 HydrophobicContact CB-CD2 4.38Å; A353-F355 HydrophobicContact CB-CE2 3.57Å; A353-F355 HydrophobicContact CB-CZ 3.95Å; A353-F355 WeakPolarHBondContact O-CD2 3.47Å
354N90.1Very high88.4Confident90 Ų9072.4 Ų72.448%0.48136%0.357SS..  trans-85.3131.9172.9-17130.8000108.9H322 H324H322-N354 PolarHBondContact O-ND2 3.49Å; H322-N354 VanDerWaalsContact O-ND2 3.1Å; H324-N354 WeakPolarHBondContact CB-O 3.41Å; H324-N354 PolarHBondContact CD2-O 3.48Å; H324-N354 PolarHBondContact N-O 2.86Å
355F92.8Very high88.5Confident32 Ų3271.6 Ų71.614%0.1435%0.353CS..BIsolated β-bridgetrans-116161.9-179.5-73-89.4000111.2H324 I327 A353 A361 I363H324-F355 HydrophobicContact CB-CD1 3.67Å; H324-F355 HydrophobicContact CB-CE1 3.63Å; H324-F355 HydrophobicContact CB-CG 4.32Å; H324-F355 HydrophobicContact CB-CZ 4.25Å; H324-F355 CarbonylContact O-C 3.58Å; H324-F355 VanDerWaalsContact O-CA 3.29Å; H324-F355 WeakPolarHBondContact O-CA 3.3Å; H324-F355 WeakPolarHBondContact O-CD1 3.22Å; I327-F355 HydrophobicContact CD1-CE1 4.11Å; I327-F355 HydrophobicContact CD1-CZ 3.77Å; I327-F355 HydrophobicContact CG1-CE1 4.17Å; I327-F355 HydrophobicContact CG1-CZ 4.32Å; A353-F355 HydrophobicContact CB-CD2 4.38Å; A353-F355 HydrophobicContact CB-CE2 3.57Å; A353-F355 HydrophobicContact CB-CZ 3.95Å; A353-F355 WeakPolarHBondContact O-CD2 3.47Å; F355-A361 HydrophobicContact CB-CB 3.92Å; F355-A361 HydrophobicContact CD1-CB 3.78Å; F355-A361 HydrophobicContact CD2-CB 3.59Å; F355-A361 HydrophobicContact CE1-CB 4.23Å; F355-A361 HydrophobicContact CE2-CB 4.05Å; F355-A361 HydrophobicContact CG-CB 3.45Å; F355-A361 VanDerWaalsContact CG-CB 3.45Å; F355-A361 HydrophobicContact CZ-CB 4.38Å; F355-I363 HydrophobicContact CE1-CD1 4.43Å; F355-I363 HydrophobicContact CE1-CG1 3.83Å; F355-I363 HydrophobicContact CE2-CD1 3.79Å; F355-I363 HydrophobicContact CE2-CG1 4.11Å; F355-I363 HydrophobicContact CZ-CD1 3.45Å; F355-I363 VanDerWaalsContact CZ-CD1 3.45Å; F355-I363 HydrophobicContact CZ-CG1 3.3Å
356I93.9Very high88.6Confident12 Ų1267.3 Ų67.36%0.06233%0.334CS..  trans-49.7138.217448.6168.2000112.1H324 I325 W358H324-I356 PolarHBondContact O-N 3.35Å; I325-I356 HydrophobicContact CB-CG2 4.36Å; I325-I356 HydrophobicContact CG1-CG2 3.66Å; I356-W358 HydrophobicContact CB-CD2 4.24Å; I356-W358 HydrophobicContact CB-CG 4.47Å; I356-W358 HydrophobicContact CB-CZ2 4.08Å; I356-W358 HydrophobicContact CD1-CD2 3.9Å; I356-W358 HydrophobicContact CD1-CE3 3.87Å; I356-W358 HydrophobicContact CD1-CH2 3.48Å; I356-W358 VanDerWaalsContact CD1-CH2 3.48Å; I356-W358 HydrophobicContact CD1-CZ2 3.49Å; I356-W358 VanDerWaalsContact CD1-CZ2 3.49Å; I356-W358 HydrophobicContact CD1-CZ3 3.66Å; I356-W358 HydrophobicContact CG1-CZ2 4.38Å; I356-W358 HydrophobicContact CG2-CZ2 3.76Å
357P92.4Very high88.6Confident69 Ų6964.4 Ų64.445%0.44833%0.327SS..THydrogen-bonded Turntrans-80.8-16-17831.5-36.2000113.9P448P357-P448 HydrophobicContact CB-CB 4.46Å; P357-P448 HydrophobicContact CB-CG 4.06Å; P357-P448 HydrophobicContact CG-CB 4.43Å; P357-P448 HydrophobicContact CG-CG 4.04Å
358W91.8Very high88.6Confident51 Ų5164.7 Ų64.719%0.19333%0.329CS..THydrogen-bonded Turntrans-96.52.5-173.749.9-95.7000113.6T270 I356 A445 R447 Y450 I451T270-W358 HydrophobicContact CG2-CH2 4.07Å; I356-W358 HydrophobicContact CB-CD2 4.24Å; I356-W358 HydrophobicContact CB-CG 4.47Å; I356-W358 HydrophobicContact CB-CZ2 4.08Å; I356-W358 HydrophobicContact CD1-CD2 3.9Å; I356-W358 HydrophobicContact CD1-CE3 3.87Å; I356-W358 HydrophobicContact CD1-CH2 3.48Å; I356-W358 VanDerWaalsContact CD1-CH2 3.48Å; I356-W358 HydrophobicContact CD1-CZ2 3.49Å; I356-W358 VanDerWaalsContact CD1-CZ2 3.49Å; I356-W358 HydrophobicContact CD1-CZ3 3.66Å; I356-W358 HydrophobicContact CG1-CZ2 4.38Å; I356-W358 HydrophobicContact CG2-CZ2 3.76Å; W358-A445 PolarHBondContact NE1-O 3.3Å; W358-R447 VanDerWaalsContact CD1-O 3.3Å; W358-Y450 AromaticContact CD2-CD1 3.76Å; W358-Y450 HydrophobicContact CD2-CD1 3.76Å; W358-Y450 AromaticContact CE2-CD1 3.37Å; W358-Y450 HydrophobicContact CE3-CD1 4.21Å; W358-Y450 HydrophobicContact CG-CD1 4.27Å; W358-Y450 HydrophobicContact CH2-CD1 4.01Å; W358-Y450 AromaticContact CH2-CE1 3.91Å; W358-Y450 HydrophobicContact CH2-CE1 3.91Å; W358-Y450 AromaticContact CZ2-CD1 3.52Å; W358-Y450 HydrophobicContact CZ2-CD1 3.52Å; W358-Y450 AromaticContact CZ2-CE1 3.67Å; W358-Y450 HydrophobicContact CZ2-CE1 3.67Å; W358-Y450 HydrophobicContact CZ2-CG 4.49Å; W358-Y450 HydrophobicContact CZ3-CD1 4.33Å; W358-Y450 HydrophobicContact CZ3-CE1 4.47Å; W358-Y450 AromaticContact NE1-CD1 3.69Å; W358-Y450 AromaticContact NE1-CG 3.93Å; W358-I451 HydrophobicContact CB-CD1 4.01Å; W358-I451 HydrophobicContact CB-CG1 4.05Å; W358-I451 HydrophobicContact CE3-CG1 4.43Å
359G89.1Confident88.4Confident27 Ų2766.8 Ų66.828%0.27834%0.337SS..SBendtrans-154.4169.8-179.100000113
360P89.8Confident88.1Confident119 Ų11965 Ų6577%0.77333%0.325SS*.  trans-70147.9176.329.7-34.2000111.6S362P360-S362 PolarHBondContact O-N 3.19Å; P360-S362 VanDerWaalsContact O-N 3.09Å
361A87.3Confident88Confident38 Ų3857.3 Ų57.331%0.31430%0.297SS..  trans-65.2108.7175.600000111.9F355 I363F355-A361 HydrophobicContact CB-CB 3.92Å; F355-A361 HydrophobicContact CD1-CB 3.78Å; F355-A361 HydrophobicContact CD2-CB 3.59Å; F355-A361 HydrophobicContact CE1-CB 4.23Å; F355-A361 HydrophobicContact CE2-CB 4.05Å; F355-A361 HydrophobicContact CG-CB 3.45Å; F355-A361 VanDerWaalsContact CG-CB 3.45Å; F355-A361 HydrophobicContact CZ-CB 4.38Å; A361-I363 PolarHBondContact O-N 2.74Å
362S90Very high87.9Confident37 Ų3753.1 Ų53.126%0.25929%0.289SS..EExtended strand (participates in β ladder)trans-87.2104177-172.80000111.1I327 P360I327-S362 PolarHBondContact N-O 2.81Å; P360-S362 PolarHBondContact O-N 3.19Å; P360-S362 VanDerWaalsContact O-N 3.09Å
363I90.8Very high88Confident16 Ų1651.7 Ų51.78%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-125.9111.7170.5-49.1175000108I327 L344 I347 R348 F355 A361I327-I363 HydrophobicContact CB-CG2 4.44Å; I327-I363 CarbonylContact O-C 3.08Å; I327-I363 WeakPolarHBondContact O-CA 3.22Å; L344-I363 HydrophobicContact CD2-CB 3.95Å; L344-I363 HydrophobicContact CD2-CG2 3.39Å; I347-I363 HydrophobicContact CG2-CD1 4.07Å; R348-I363 HydrophobicContact CG-CD1 4.48Å; F355-I363 HydrophobicContact CE1-CD1 4.43Å; F355-I363 HydrophobicContact CE1-CG1 3.83Å; F355-I363 HydrophobicContact CE2-CD1 3.79Å; F355-I363 HydrophobicContact CE2-CG1 4.11Å; F355-I363 HydrophobicContact CZ-CD1 3.45Å; F355-I363 VanDerWaalsContact CZ-CD1 3.45Å; F355-I363 HydrophobicContact CZ-CG1 3.3Å; A361-I363 PolarHBondContact O-N 2.74Å
364Q90.2Very high87.7Confident69 Ų6953.3 Ų53.332%0.32229%0.285SS..EExtended strand (participates in β ladder)trans-108.1150.6175.9-62.8-165.31.700110.9N257 I327 L328 N329N257-Q364 PolarHBondContact ND2-OE1 2.85Å; I327-Q364 PolarHBondContact O-N 2.79Å; L328-Q364 WeakPolarHBondContact CA-O 3.43Å; L328-Q364 HydrophobicContact CD1-CB 3.72Å; N329-Q364 PolarHBondContact N-O 2.92Å
365V90Very high86.7Confident11 Ų1154 Ų547%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-129.9122.6174.8-177.10000108.3M256 M301 N329 I331 V340 L344 L367M256-V365 VanDerWaalsContact CE-O 3.27Å; M256-V365 WeakPolarHBondContact CE-O 3.37Å; M301-V365 HydrophobicContact CE-CG2 3.63Å; M301-V365 HydrophobicContact SD-CG2 4.46Å; N329-V365 HydrophobicContact CB-CG2 4.39Å; N329-V365 CarbonylContact O-C 3.55Å; N329-V365 VanDerWaalsContact O-CA 3.28Å; N329-V365 WeakPolarHBondContact O-CA 3.21Å; I331-V365 HydrophobicContact CD1-CG1 3.74Å; I331-V365 HydrophobicContact CG1-CG1 4.02Å; V340-V365 HydrophobicContact CG1-CB 3.73Å; V340-V365 HydrophobicContact CG1-CG1 3.65Å; V340-V365 HydrophobicContact CG1-CG2 3.87Å; L344-V365 HydrophobicContact CD1-CG2 3.96Å; L344-V365 HydrophobicContact CD2-CG2 3.86Å; L344-V365 HydrophobicContact CG-CG2 4.06Å; V365-L367 HydrophobicContact CG1-CD2 4.23Å
366A88.9Confident85.5Confident2 Ų254.9 Ų54.92%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-103.8125.1169.600000108.4T249 L328 N329 I330 I331T249-A366 HydrophobicContact CG2-CB 3.74Å; L328-A366 HydrophobicContact CD1-CB 4.33Å; N329-A366 PolarHBondContact O-N 3.14Å; I330-A366 CarbonylContact C-O 3.6Å; I330-A366 WeakPolarHBondContact CA-O 3.47Å; I330-A366 HydrophobicContact CG1-CB 4.34Å; I331-A366 PolarHBondContact N-O 3.26Å
367L88.3Confident83.9Confident63 Ų6357.5 Ų57.533%0.3334%0.336SS..EExtended strand (participates in β ladder)trans-92128.7171.8-63.4-178.8000108.3I331 V335 P337 V340 V365I331-L367 HydrophobicContact CB-CD2 3.99Å; V335-L367 HydrophobicContact CB-CD2 4.09Å; V335-L367 HydrophobicContact CG1-CD1 4.24Å; V335-L367 HydrophobicContact CG1-CD2 3.74Å; P337-L367 HydrophobicContact CB-CD1 4.39Å; P337-L367 HydrophobicContact CG-CD1 4.16Å; V340-L367 HydrophobicContact CG2-CD1 4.11Å; V340-L367 HydrophobicContact CG2-CD2 3.87Å; V340-L367 HydrophobicContact CG2-CG 4.37Å; V365-L367 HydrophobicContact CG1-CD2 4.23Å
368S85.7Confident82.7Confident10 Ų1057 Ų577%0.0733%0.328CS..EExtended strand (participates in β ladder)trans-125.7151.7171.5-169.20000111.1T248 I331 Q332 G333T248-S368 WeakPolarHBondContact CG2-OG 3.39Å; I331-S368 PolarHBondContact O-N 3.28Å; Q332-S368 WeakPolarHBondContact CA-O 3.45Å; G333-S368 PolarHBondContact N-O 3.43Å
369R80.1Confident81.7Confident188 Ų18863.1 Ų63.171%0.70935%0.351SS*.PPolyproline II helixtrans-78.3151.4165.9-63.3-178.4-177.9172.2-0108.8
370R80.2Confident81.4Confident87 Ų8762.6 Ų62.633%0.32834%0.342SS..PPolyproline II helixtrans-81.8156.6169.8-168178.3-176.3138.9-0.1108.8S376R370-S376 PolarHBondContact NH1-OG 3.19Å; R370-S376 PolarHBondContact NH2-OG 3.24Å
371S84.9Confident81.3Confident7 Ų757 Ų575%0.04931%0.306CS..PPolyproline II helixtrans-49.7130.7164.2176.10000110.6E28 Y252 Y373E28-S371 VanDerWaalsContact O-CB 3.26Å; E28-S371 WeakPolarHBondContact O-CB 3.5Å; E28-S371 PolarHBondContact O-OG 3.04Å; Y252-S371 WeakPolarHBondContact OH-CB 3.45Å; S371-Y373 PolarHBondContact O-N 2.72Å; S371-Y373 WeakPolarHBondContact OG-CD2 3.23Å; S371-Y373 PolarHBondContact OG-N 3.29Å
372P81.9Confident81.5Confident94 Ų9455.2 Ų55.261%0.6129%0.291SS*.SBendtrans-72.2-15.3173.930.1-33.3000112.7
373Y83.3Confident81.8Confident50 Ų5053.5 Ų53.520%0.19628%0.279CS..SBendtrans-87.5-19.2-174.5-43.8-50000113E28 H29 F40 A41 G44 S371E28-Y373 VanDerWaalsContact O-CD2 3.24Å; E28-Y373 WeakPolarHBondContact O-CD2 3.16Å; H29-Y373 VanDerWaalsContact C-CE2 3.47Å; H29-Y373 WeakPolarHBondContact O-CE2 3.38Å; F40-Y373 AromaticContact CD2-CD1 3.51Å; F40-Y373 HydrophobicContact CD2-CD1 3.51Å; F40-Y373 AromaticContact CD2-CE1 3.93Å; F40-Y373 HydrophobicContact CD2-CE1 3.93Å; F40-Y373 HydrophobicContact CD2-CG 4.18Å; F40-Y373 AromaticContact CE2-CD1 3.59Å; F40-Y373 HydrophobicContact CE2-CD1 3.59Å; F40-Y373 HydrophobicContact CE2-CE1 4.28Å; F40-Y373 AromaticContact CE2-CG 3.76Å; F40-Y373 HydrophobicContact CE2-CG 3.76Å; A41-Y373 WeakPolarHBondContact CA-OH 3.36Å; A41-Y373 HydrophobicContact CB-CD1 4.45Å; A41-Y373 HydrophobicContact CB-CD2 4.49Å; A41-Y373 HydrophobicContact CB-CE1 3.82Å; A41-Y373 HydrophobicContact CB-CE2 3.89Å; A41-Y373 PolarHBondContact O-OH 2.97Å; G44-Y373 VanDerWaalsContact CA-OH 3.27Å; G44-Y373 WeakPolarHBondContact CA-OH 3.28Å; S371-Y373 PolarHBondContact O-N 2.72Å; S371-Y373 WeakPolarHBondContact OG-CD2 3.23Å; S371-Y373 PolarHBondContact OG-N 3.29Å
374L81.3Confident82Confident48 Ų4852.7 Ų52.725%0.25128%0.275SS..SBendtrans-97.2114.8179.9-65-177.1000111.4A27 E28A27-L374 HydrophobicContact CB-CD2 4Å; E28-L374 HydrophobicContact CB-CD1 4.5Å; E28-L374 HydrophobicContact CG-CD1 3.49Å; E28-L374 VanDerWaalsContact CG-CD1 3.49Å; E28-L374 HydrophobicContact CG-CG 4.49Å
375A68.8Low82.3Confident103 Ų10349.7 Ų49.785%0.85126%0.261SS*.  trans-60.4140.216800000110.3
376S67.4Low82.5Confident51 Ų5149.1 Ų49.136%0.35726%0.258SS..  trans-140.9136.2172.3-162.80000113.6R370 H378R370-S376 PolarHBondContact NH1-OG 3.19Å; R370-S376 PolarHBondContact NH2-OG 3.24Å; S376-H378 PolarHBondContact O-N 3.21Å; S376-H378 PolarHBondContact OG-N 2.66Å; S376-H378 VanDerWaalsContact OG-N 3.14Å; S376-H378 PolarHBondContact OG-O 2.99Å
377A60.5Low82.9Confident67 Ų6749 Ų4955%0.55426%0.257SS*.SBendtrans-65.7-24.1167.200000112.7
378H67.3Low83.2Confident58 Ų5846.6 Ų46.627%0.26924%0.244SC..  trans-105.8121.9-173.9-62.9-66.5000111.9P282 T284 S376 V380P282-H378 HydrophobicContact CG-CB 3.97Å; P282-H378 VanDerWaalsContact CG-CD2 3.42Å; P282-H378 WeakPolarHBondContact CG-CD2 3.44Å; P282-H378 VanDerWaalsContact CG-CG 3.48Å; T284-H378 PolarHBondContact OG1-NE2 2.88Å; S376-H378 PolarHBondContact O-N 3.21Å; S376-H378 PolarHBondContact OG-N 2.66Å; S376-H378 VanDerWaalsContact OG-N 3.14Å; S376-H378 PolarHBondContact OG-O 2.99Å; H378-V380 VanDerWaalsContact C-N 3.29Å; H378-V380 PolarHBondContact O-N 3.1Å
379R69.9Low83.7Confident180 Ų18046.1 Ų46.168%0.67924%0.24SC*.SBendtrans-67-27.8178.9-67.2-171.4-178.1-164.6-0.2113.9
380V82.5Confident84.3Confident16 Ų1637.1 Ų37.110%0.09721%0.207CC..EExtended strand (participates in β ladder)trans-143128.7-176.5-171.70000109.6V300 I331 Q332 V335 H378V300-V380 HydrophobicContact CG2-CB 4.36Å; V300-V380 HydrophobicContact CG2-CG1 3.91Å; I331-V380 HydrophobicContact CG2-CG1 3.6Å; Q332-V380 WeakPolarHBondContact O-CA 3.44Å; V335-V380 HydrophobicContact CG2-CG1 4.1Å; V335-V380 HydrophobicContact CG2-CG2 4.36Å; H378-V380 VanDerWaalsContact C-N 3.29Å; H378-V380 PolarHBondContact O-N 3.1Å
381S88.4Confident85Confident3 Ų333 Ų332%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-118.2162.8167.550.90000110.1T281 Q332T281-S381 CarbonylContact O-C 3.58Å; T281-S381 WeakPolarHBondContact O-CA 3.46Å; Q332-S381 WeakPolarHBondContact CB-OG 3.27Å; Q332-S381 PolarHBondContact N-O 2.9Å; Q332-S381 PolarHBondContact O-N 2.78Å; Q332-S381 PolarHBondContact OE1-OG 2.96Å
382G91.8Very high85.5Confident0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-145140.1176.300000111.2Y280 T281 L304 I330Y280-G382 WeakPolarHBondContact CD2-O 3.32Å; T281-G382 PolarHBondContact N-O 3.21Å; T281-G382 PolarHBondContact O-N 2.95Å; L304-G382 WeakPolarHBondContact CD2-O 3.47Å; I330-G382 CarbonylContact O-C 3.5Å; I330-G382 VanDerWaalsContact O-CA 3.3Å; I330-G382 WeakPolarHBondContact O-CA 3.26Å
383L94.9Very high86Confident0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-112.3134.3164.5175.974.5000108.2I242 A245 S246 G279 Y280 N329 I330 M385I242-L383 HydrophobicContact CG2-CD1 4.06Å; A245-L383 HydrophobicContact CB-CB 3.95Å; A245-L383 HydrophobicContact CB-CD2 3.79Å; A245-L383 HydrophobicContact CB-CG 4.32Å; S246-L383 VanDerWaalsContact CA-CD2 3.46Å; S246-L383 VanDerWaalsContact N-CD2 3.28Å; G279-L383 CarbonylContact O-C 3.58Å; G279-L383 WeakPolarHBondContact O-CA 3.48Å; Y280-L383 HydrophobicContact CD2-CB 4.15Å; Y280-L383 HydrophobicContact CD2-CD1 4.09Å; N329-L383 CarbonylContact C-O 3.53Å; N329-L383 VanDerWaalsContact CA-O 3.31Å; N329-L383 WeakPolarHBondContact CA-O 3.19Å; I330-L383 HydrophobicContact CB-CB 4.43Å; I330-L383 HydrophobicContact CD1-CD2 4.39Å; I330-L383 PolarHBondContact N-O 3.47Å; I330-L383 PolarHBondContact O-N 3.33Å; L383-M385 HydrophobicContact CD2-CG 4.09Å; L383-M385 HydrophobicContact CD2-SD 4.39Å; L383-M385 HydrophobicContact CG-CG 4.41Å
384M95.6Very high86.4Confident0 Ų027.3 Ų27.30%016%0.161CC..EExtended strand (participates in β ladder)trans-104.6128.1166.5-179.2-178.169.100108.6T278 G279 L304 L305 V310 I327 L328 N329 A386T278-M384 CarbonylContact C-O 3.53Å; T278-M384 VanDerWaalsContact CA-O 3.24Å; T278-M384 WeakPolarHBondContact CA-O 3.37Å; G279-M384 PolarHBondContact N-O 3.14Å; G279-M384 PolarHBondContact O-N 3.29Å; L304-M384 HydrophobicContact CB-CB 4Å; L304-M384 HydrophobicContact CB-SD 4.41Å; L304-M384 HydrophobicContact CD1-CB 4.19Å; L304-M384 HydrophobicContact CD2-CB 3.96Å; L304-M384 HydrophobicContact CG-CB 4.26Å; L304-M384 VanDerWaalsContact O-CE 3.25Å; L304-M384 WeakPolarHBondContact O-CE 3.46Å; L305-M384 HydrophobicContact CD2-SD 4.05Å; V310-M384 HydrophobicContact CG2-CE 3.98Å; I327-M384 HydrophobicContact CG2-CG 3.8Å; I327-M384 HydrophobicContact CG2-SD 4.1Å; L328-M384 CarbonylContact O-C 3.39Å; L328-M384 WeakPolarHBondContact O-CA 3.26Å; N329-M384 WeakPolarHBondContact OD1-CB 3.38Å; N329-M384 WeakPolarHBondContact OD1-CG 3.49Å; M384-A386 HydrophobicContact CE-CB 4.1Å; M384-A386 HydrophobicContact CG-CB 4.11Å; M384-A386 HydrophobicContact SD-CB 4.14Å
385M95.8Very high87.1Confident5 Ų525 Ų253%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-107.6118.3161.6-62.5177.170.300106.5V210 L267 L276 L328 I330 L383V210-M385 HydrophobicContact CG2-CE 4.14Å; L267-M385 HydrophobicContact CD1-CB 3.93Å; L267-M385 HydrophobicContact CD1-CE 4.15Å; L267-M385 HydrophobicContact CD1-SD 4.45Å; L267-M385 HydrophobicContact CD2-CB 4.35Å; L267-M385 WeakPolarHBondContact CD2-O 3.23Å; L276-M385 HydrophobicContact CD1-CE 3.69Å; L328-M385 HydrophobicContact CB-CB 4.47Å; L328-M385 PolarHBondContact N-O 2.86Å; L328-M385 PolarHBondContact O-N 3.49Å; I330-M385 HydrophobicContact CD1-SD 4.4Å; L383-M385 HydrophobicContact CD2-CG 4.09Å; L383-M385 HydrophobicContact CD2-SD 4.39Å; L383-M385 HydrophobicContact CG-CG 4.41Å
386A95.4Very high88.3Confident0 Ų022.2 Ų22.20%012%0.119CC..EExtended strand (participates in β ladder)trans-126130.6-175.600000110.4M277 A326 I327 M384M277-A386 HydrophobicContact CG-CB 4.22Å; M277-A386 WeakPolarHBondContact CG-O 3.22Å; M277-A386 PolarHBondContact N-O 2.84Å; M277-A386 PolarHBondContact O-N 3.37Å; A326-A386 WeakPolarHBondContact O-CA 3.28Å; I327-A386 HydrophobicContact CG1-CB 4.32Å; M384-A386 HydrophobicContact CE-CB 4.1Å; M384-A386 HydrophobicContact CG-CB 4.11Å; M384-A386 HydrophobicContact SD-CB 4.14Å
387N96.4Very high89.4Confident0 Ų023.4 Ų23.40%012%0.116CC..EExtended strand (participates in β ladder)trans-91.1110.4164.8-169.2-12.9000107.8L267 L273 L276 I325 A326L267-N387 VanDerWaalsContact O-CB 3.32Å; L267-N387 WeakPolarHBondContact O-CB 3.49Å; L267-N387 PolarHBondContact O-ND2 2.98Å; L273-N387 PolarHBondContact O-ND2 3.2Å; L276-N387 HydrophobicContact CD2-CB 3.73Å; I325-N387 HydrophobicContact CB-CB 4.15Å; I325-N387 PolarHBondContact N-O 3.45Å; A326-N387 HydrophobicContact CB-CB 4.42Å; A326-N387 PolarHBondContact N-O 3.14Å; A326-N387 PolarHBondContact O-N 2.87Å
388H95.3Very high91Very high11 Ų1120.3 Ų20.35%0.0519%0.09CC..EExtended strand (participates in β ladder)trans-139.5132.2-172.1-175-90.1000110.4M277 C323 H324 S390 I391M277-H388 HydrophobicContact CE-CB 4.11Å; M277-H388 HydrophobicContact CG-CB 4.26Å; M277-H388 HydrophobicContact SD-CB 3.54Å; M277-H388 VanDerWaalsContact SD-CB 3.54Å; C323-H388 PolarHBondContact O-CD2 2.76Å; C323-H388 VanDerWaalsContact O-CD2 3.32Å; H324-H388 AromaticContact CD2-CD2 3.54Å; H324-H388 AromaticContact CE1-CD2 3.49Å; H324-H388 PolarHBondContact CE1-CD2 3.01Å; H324-H388 VanDerWaalsContact CE1-CD2 3.49Å; H324-H388 AromaticContact CG-CD2 3.53Å; H324-H388 PolarHBondContact N-CD2 3.03Å; H324-H388 AromaticContact ND1-CD2 3.48Å; H324-H388 PolarHBondContact ND1-CD2 2.89Å; H324-H388 AromaticContact NE2-CD2 3.53Å; H388-S390 VanDerWaalsContact CE1-CB 3.48Å; H388-S390 WeakPolarHBondContact CE1-CB 3.45Å; H388-S390 PolarHBondContact CE1-OG 3.1Å; H388-S390 VanDerWaalsContact CE1-OG 3.26Å; H388-S390 VanDerWaalsContact ND1-CB 3.28Å; H388-S390 WeakPolarHBondContact ND1-CB 3.34Å; H388-S390 PolarHBondContact ND1-N 2.81Å; H388-S390 PolarHBondContact ND1-OG 3.39Å; H388-S390 PolarHBondContact O-N 3.2Å; H388-I391 WeakPolarHBondContact O-CG2 3.49Å; H388-I391 PolarHBondContact O-N 3.04Å
389T95.3Very high92.3Very high0 Ų017.5 Ų17.50%08%0.077CC..G310 helixtrans-63.7-19.8-170.159.90000113.8H322 C323 I325 I391 S392 Y442 A445 T446H322-T389 VanDerWaalsContact CA-OG1 3.29Å; H322-T389 WeakPolarHBondContact CA-OG1 3.28Å; H322-T389 VanDerWaalsContact CB-OG1 3.31Å; H322-T389 WeakPolarHBondContact CB-OG1 3.44Å; H322-T389 PolarHBondContact ND1-OG1 3.3Å; H322-T389 VanDerWaalsContact ND1-OG1 3.17Å; C323-T389 PolarHBondContact N-OG1 3.23Å; C323-T389 PolarHBondContact O-N 2.94Å; C323-T389 PolarHBondContact O-OG1 3.2Å; I325-T389 HydrophobicContact CD1-CG2 4.16Å; I325-T389 HydrophobicContact CG1-CG2 4.33Å; T389-I391 PolarHBondContact O-N 2.99Å; T389-I391 VanDerWaalsContact O-N 3.11Å; T389-S392 PolarHBondContact O-N 3.44Å; T389-S392 PolarHBondContact O-OG 2.79Å; T389-Y442 HydrophobicContact CG2-CD1 4.4Å; T389-A445 HydrophobicContact CG2-CB 4.28Å; T389-T446 HydrophobicContact CG2-CG2 4.01Å
390S94.4Very high93.4Very high0 Ų016.6 Ų16.60%07%0.074CC..G310 helixtrans-66.4-10178.274.10000114.3T314 H322 H388 S392 S393T314-S390 VanDerWaalsContact CB-OG 3.3Å; T314-S390 WeakPolarHBondContact CB-OG 3.44Å; T314-S390 VanDerWaalsContact CG2-O 3.24Å; T314-S390 WeakPolarHBondContact CG2-O 3.38Å; T314-S390 PolarHBondContact OG1-OG 3.07Å; T314-S390 VanDerWaalsContact OG1-OG 3.07Å; H322-S390 VanDerWaalsContact CD2-CB 3.49Å; H322-S390 WeakPolarHBondContact CD2-CB 3.26Å; H388-S390 VanDerWaalsContact CE1-CB 3.48Å; H388-S390 WeakPolarHBondContact CE1-CB 3.45Å; H388-S390 PolarHBondContact CE1-OG 3.1Å; H388-S390 VanDerWaalsContact CE1-OG 3.26Å; H388-S390 VanDerWaalsContact ND1-CB 3.28Å; H388-S390 WeakPolarHBondContact ND1-CB 3.34Å; H388-S390 PolarHBondContact ND1-N 2.81Å; H388-S390 PolarHBondContact ND1-OG 3.39Å; H388-S390 PolarHBondContact O-N 3.2Å; S390-S392 PolarHBondContact O-N 3.02Å; S390-S393 WeakPolarHBondContact O-CB 3.48Å; S390-S393 PolarHBondContact O-N 3.02Å; S390-S393 PolarHBondContact O-OG 3.39Å
391I94.9Very high93.9Very high0 Ų018.2 Ų18.20%08%0.08CC..G310 helixtrans-59.1-28.1173.7-161.468000111.8V211 F275 M277 V312 H388 T389 S393 L394 F395 Y442V211-I391 HydrophobicContact CB-CD1 4.26Å; V211-I391 HydrophobicContact CG1-CD1 4.21Å; V211-I391 HydrophobicContact CG2-CD1 4.09Å; V211-I391 HydrophobicContact CG2-CG1 4.44Å; F275-I391 HydrophobicContact CB-CG1 4.03Å; F275-I391 HydrophobicContact CB-CG2 4.27Å; M277-I391 HydrophobicContact CE-CB 3.72Å; M277-I391 HydrophobicContact CE-CD1 3.72Å; M277-I391 HydrophobicContact CE-CG1 4.29Å; V312-I391 HydrophobicContact CG1-CD1 3.75Å; H388-I391 WeakPolarHBondContact O-CG2 3.49Å; H388-I391 PolarHBondContact O-N 3.04Å; T389-I391 PolarHBondContact O-N 2.99Å; T389-I391 VanDerWaalsContact O-N 3.11Å; I391-S393 PolarHBondContact O-N 3.06Å; I391-S393 VanDerWaalsContact O-N 3.08Å; I391-L394 HydrophobicContact CD1-CD1 3.65Å; I391-L394 HydrophobicContact CD1-CG 4.45Å; I391-L394 HydrophobicContact CG1-CD1 4.46Å; I391-L394 WeakPolarHBondContact O-CB 3.34Å; I391-L394 PolarHBondContact O-N 3.35Å; I391-F395 HydrophobicContact CG1-CE2 4.28Å; I391-F395 HydrophobicContact CG1-CZ 3.83Å; I391-F395 HydrophobicContact CG2-CE2 3.91Å; I391-F395 HydrophobicContact CG2-CZ 4.24Å; I391-Y442 HydrophobicContact CG2-CD1 4.14Å; I391-Y442 HydrophobicContact CG2-CD2 4.35Å; I391-Y442 HydrophobicContact CG2-CE1 3.6Å; I391-Y442 HydrophobicContact CG2-CE2 3.89Å; I391-Y442 HydrophobicContact CG2-CG 4.49Å; I391-Y442 VanDerWaalsContact CG2-CZ 3.48Å
392S94.3Very high94.2Very high6 Ų618.2 Ų18.24%0.0428%0.08CC..Hα-helixtrans-57.3-26.2177.164.60000113.5T389 S390 L394 F395 D396T389-S392 PolarHBondContact O-N 3.44Å; T389-S392 PolarHBondContact O-OG 2.79Å; S390-S392 PolarHBondContact O-N 3.02Å; S392-L394 PolarHBondContact O-N 3.37Å; S392-F395 PolarHBondContact O-N 3.32Å; S392-F395 VanDerWaalsContact O-N 3.11Å; S392-D396 WeakPolarHBondContact O-CB 3.48Å; S392-D396 PolarHBondContact O-N 2.83Å
393S92.7Very high94.4Very high25 Ų2520.1 Ų20.118%0.1759%0.09CC..Hα-helixtrans-63.5-24.5175.566.80000114S390 I391 R397S390-S393 WeakPolarHBondContact O-CB 3.48Å; S390-S393 PolarHBondContact O-N 3.02Å; S390-S393 PolarHBondContact O-OG 3.39Å; I391-S393 PolarHBondContact O-N 3.06Å; I391-S393 VanDerWaalsContact O-N 3.08Å; S393-R397 WeakPolarHBondContact O-CB 3.48Å; S393-R397 PolarHBondContact O-N 2.77Å
394L92.6Very high94.3Very high0 Ų026.5 Ų26.50%012%0.118CC..Hα-helixtrans-72.3-46.1171-65.2-178.7000110.8F179 V211 V312 I391 S392 R397 T398F179-L394 HydrophobicContact CD1-CD1 4.18Å; F179-L394 HydrophobicContact CE1-CB 4.48Å; F179-L394 HydrophobicContact CE1-CD1 4.3Å; V211-L394 HydrophobicContact CG1-CD1 3.99Å; V312-L394 HydrophobicContact CG1-CD1 3.57Å; V312-L394 HydrophobicContact CG1-CG 4.32Å; I391-L394 HydrophobicContact CD1-CD1 3.65Å; I391-L394 HydrophobicContact CD1-CG 4.45Å; I391-L394 HydrophobicContact CG1-CD1 4.46Å; I391-L394 WeakPolarHBondContact O-CB 3.34Å; I391-L394 PolarHBondContact O-N 3.35Å; S392-L394 PolarHBondContact O-N 3.37Å; L394-R397 WeakPolarHBondContact O-CB 3.11Å; L394-R397 PolarHBondContact O-N 3.1Å; L394-T398 PolarHBondContact O-N 2.56Å; L394-T398 PolarHBondContact O-OG1 3.35Å
395F94.9Very high94.2Very high0 Ų028 Ų280%013%0.126CC..Hα-helixtrans-64.8-45.8-178.8-48.9-37000110.9F179 L199 F275 I391 S392 R397 T398 C399 V435 L438 V439 Y442F179-F395 HydrophobicContact CE1-CD1 4.44Å; F179-F395 HydrophobicContact CE1-CE1 4.15Å; F179-F395 HydrophobicContact CZ-CE1 4.07Å; L199-F395 HydrophobicContact CD1-CD1 4.15Å; L199-F395 HydrophobicContact CD2-CD1 3.9Å; L199-F395 HydrophobicContact CD2-CE1 3.84Å; F275-F395 HydrophobicContact CB-CZ 4Å; F275-F395 AromaticContact CD1-CE1 3.94Å; F275-F395 HydrophobicContact CD1-CE1 3.94Å; F275-F395 AromaticContact CD1-CZ 3.52Å; F275-F395 HydrophobicContact CD1-CZ 3.52Å; F275-F395 HydrophobicContact CD2-CE2 4.31Å; F275-F395 AromaticContact CD2-CZ 3.91Å; F275-F395 HydrophobicContact CD2-CZ 3.91Å; F275-F395 AromaticContact CE1-CE1 3.98Å; F275-F395 HydrophobicContact CE1-CE1 3.98Å; F275-F395 AromaticContact CE1-CZ 3.87Å; F275-F395 HydrophobicContact CE1-CZ 3.87Å; F275-F395 HydrophobicContact CE2-CZ 4.23Å; F275-F395 HydrophobicContact CG-CE1 4.4Å; F275-F395 HydrophobicContact CG-CE2 4.29Å; F275-F395 AromaticContact CG-CZ 3.53Å; F275-F395 HydrophobicContact CG-CZ 3.53Å; F275-F395 HydrophobicContact CZ-CE1 4.48Å; F275-F395 HydrophobicContact CZ-CZ 4.2Å; I391-F395 HydrophobicContact CG1-CE2 4.28Å; I391-F395 HydrophobicContact CG1-CZ 3.83Å; I391-F395 HydrophobicContact CG2-CE2 3.91Å; I391-F395 HydrophobicContact CG2-CZ 4.24Å; S392-F395 PolarHBondContact O-N 3.32Å; S392-F395 VanDerWaalsContact O-N 3.11Å; F395-R397 PolarHBondContact O-N 2.96Å; F395-T398 WeakPolarHBondContact O-CB 3.36Å; F395-T398 PolarHBondContact O-N 3.15Å; F395-T398 VanDerWaalsContact O-N 3.1Å; F395-C399 WeakPolarHBondContact O-CB 3.42Å; F395-C399 PolarHBondContact O-N 2.92Å; F395-C399 PolarHBondContact O-SG 3.45Å; F395-C399 VanDerWaalsContact O-SG 3.33Å; F395-V435 HydrophobicContact CB-CG1 3.95Å; F395-L438 HydrophobicContact CD2-CD2 3.82Å; F395-L438 HydrophobicContact CD2-CG 4.29Å; F395-L438 HydrophobicContact CE2-CD2 3.75Å; F395-L438 HydrophobicContact CE2-CG 4.34Å; F395-L438 HydrophobicContact CG-CD2 4.48Å; F395-L438 HydrophobicContact CZ-CD2 4.32Å; F395-V439 HydrophobicContact CB-CG2 3.6Å; F395-V439 HydrophobicContact CD2-CG2 4.4Å; F395-Y442 HydrophobicContact CD2-CD2 4.38Å; F395-Y442 HydrophobicContact CD2-CE2 4.3Å; F395-Y442 HydrophobicContact CE2-CD2 4.09Å; F395-Y442 AromaticContact CE2-CE2 3.61Å; F395-Y442 HydrophobicContact CE2-CE2 3.61Å
396D93.4Very high94.2Very high45 Ų4530.2 Ų30.224%0.24113%0.134CC..Hα-helixtrans-58-38.1173.7175.445.5000111.5S392 C399 R400S392-D396 WeakPolarHBondContact O-CB 3.48Å; S392-D396 PolarHBondContact O-N 2.83Å; D396-C399 PolarHBondContact O-N 3.26Å; D396-R400 VanDerWaalsContact O-CG 3.25Å; D396-R400 WeakPolarHBondContact O-CG 3.33Å; D396-R400 PolarHBondContact O-N 3.47Å; D396-R400 IonicContact OD1-CZ 3.11Å; D396-R400 IonicContact OD1-NE 3.72Å; D396-R400 PolarHBondContact OD1-NE 3.27Å; D396-R400 VanDerWaalsContact OD1-NE 3.17Å; D396-R400 IonicContact OD1-NH2 3.75Å; D396-R400 IonicContact OD2-CZ 3.83Å; D396-R400 IonicContact OD2-NE 3.78Å; D396-R400 PolarHBondContact OD2-NE 2.85Å; D396-R400 VanDerWaalsContact OD2-NE 3.07Å; D396-R400 IonicContact OD2-NH2 3.17Å; D396-R400 PolarHBondContact OD2-NH2 3.02Å
397R91.8Very high94.1Very high76 Ų7638.6 Ų38.629%0.28717%0.17SC..Hα-helixtrans-66-44.1174.4-158.9174.5-41.2156.9-2.7112.3S393 L394 F395 C399 R400 Q401S393-R397 WeakPolarHBondContact O-CB 3.48Å; S393-R397 PolarHBondContact O-N 2.77Å; L394-R397 WeakPolarHBondContact O-CB 3.11Å; L394-R397 PolarHBondContact O-N 3.1Å; F395-R397 PolarHBondContact O-N 2.96Å; R397-C399 VanDerWaalsContact C-N 3.34Å; R397-R400 PolarHBondContact O-N 3.17Å; R397-Q401 WeakPolarHBondContact O-CG 3.34Å; R397-Q401 PolarHBondContact O-N 3.27Å
398T92.7Very high94Very high1 Ų147.5 Ų47.51%0.00620%0.204CC..Hα-helixtrans-60-44174.4-590000111.2L199 L394 F395 R400 Q401 Y402L199-T398 HydrophobicContact CD1-CG2 3.95Å; L394-T398 PolarHBondContact O-N 2.56Å; L394-T398 PolarHBondContact O-OG1 3.35Å; F395-T398 WeakPolarHBondContact O-CB 3.36Å; F395-T398 PolarHBondContact O-N 3.15Å; F395-T398 VanDerWaalsContact O-N 3.1Å; T398-R400 PolarHBondContact O-N 3.01Å; T398-Q401 PolarHBondContact O-N 3.49Å; T398-Y402 WeakPolarHBondContact O-CB 3.5Å; T398-Y402 PolarHBondContact O-N 2.68Å
399C95Very high93.9Very high0 Ų052.9 Ų52.90%023%0.229CC..Hα-helixtrans-58.1-47.8174.4-72.60000112F395 D396 R397 Q401 Y402 D403 V435F395-C399 WeakPolarHBondContact O-CB 3.42Å; F395-C399 PolarHBondContact O-N 2.92Å; F395-C399 PolarHBondContact O-SG 3.45Å; F395-C399 VanDerWaalsContact O-SG 3.33Å; D396-C399 PolarHBondContact O-N 3.26Å; R397-C399 VanDerWaalsContact C-N 3.34Å; C399-Q401 PolarHBondContact O-N 2.77Å; C399-Y402 PolarHBondContact O-N 3.17Å; C399-D403 WeakPolarHBondContact O-CB 3.49Å; C399-D403 PolarHBondContact O-N 2.94Å; C399-V435 VanDerWaalsContact SG-CG1 3.6Å
400R94Very high93.7Very high160 Ų16054 Ų5460%0.60424%0.238SC*.Hα-helixtrans-62.7-39.8177.8-69.2170.7-165.8-164.42.1112.9D396 R397 T398 K404D396-R400 VanDerWaalsContact O-CG 3.25Å; D396-R400 WeakPolarHBondContact O-CG 3.33Å; D396-R400 PolarHBondContact O-N 3.47Å; D396-R400 IonicContact OD1-CZ 3.11Å; D396-R400 IonicContact OD1-NE 3.72Å; D396-R400 PolarHBondContact OD1-NE 3.27Å; D396-R400 VanDerWaalsContact OD1-NE 3.17Å; D396-R400 IonicContact OD1-NH2 3.75Å; D396-R400 IonicContact OD2-CZ 3.83Å; D396-R400 IonicContact OD2-NE 3.78Å; D396-R400 PolarHBondContact OD2-NE 2.85Å; D396-R400 VanDerWaalsContact OD2-NE 3.07Å; D396-R400 IonicContact OD2-NH2 3.17Å; D396-R400 PolarHBondContact OD2-NH2 3.02Å; R397-R400 PolarHBondContact O-N 3.17Å; T398-R400 PolarHBondContact O-N 3.01Å; R400-K404 PolarHBondContact O-N 3.44Å; R400-K404 VanDerWaalsContact O-N 3.16Å
401Q92.6Very high93.6Very high51 Ų5158.7 Ų58.724%0.23826%0.259CS..Hα-helixtrans-64.9-45.3176-73.5175.6-25.600111P192 R397 T398 C399 K404 L405P192-Q401 HydrophobicContact CB-CB 3.96Å; P192-Q401 HydrophobicContact CG-CB 3.89Å; R397-Q401 WeakPolarHBondContact O-CG 3.34Å; R397-Q401 PolarHBondContact O-N 3.27Å; T398-Q401 PolarHBondContact O-N 3.49Å; C399-Q401 PolarHBondContact O-N 2.77Å; Q401-K404 PolarHBondContact O-N 3.37Å; Q401-L405 PolarHBondContact O-N 3.47Å
402Y95.1Very high93.5Very high3 Ų359 Ų591%0.01226%0.261CS..Hα-helixtrans-59.5-50.6174.2165.4-90.8000111.5Y193 L196 T398 C399 K404 L405 R406 L428 D429 R432Y193-Y402 AromaticContact CD1-CD2 3.48Å; Y193-Y402 HydrophobicContact CD1-CD2 3.48Å; Y193-Y402 VanDerWaalsContact CD1-CD2 3.48Å; Y193-Y402 AromaticContact CD1-CE2 3.51Å; Y193-Y402 HydrophobicContact CD1-CE2 3.51Å; Y193-Y402 AromaticContact CE1-CD2 3.7Å; Y193-Y402 HydrophobicContact CE1-CD2 3.7Å; Y193-Y402 AromaticContact CE1-CE2 3.59Å; Y193-Y402 HydrophobicContact CE1-CE2 3.59Å; L196-Y402 HydrophobicContact CB-CD2 4.45Å; L196-Y402 HydrophobicContact CD2-CD1 3.83Å; L196-Y402 HydrophobicContact CD2-CD2 3.47Å; L196-Y402 VanDerWaalsContact CD2-CD2 3.47Å; L196-Y402 HydrophobicContact CD2-CE1 3.94Å; L196-Y402 HydrophobicContact CD2-CE2 3.57Å; L196-Y402 HydrophobicContact CD2-CG 3.6Å; T398-Y402 WeakPolarHBondContact O-CB 3.5Å; T398-Y402 PolarHBondContact O-N 2.68Å; C399-Y402 PolarHBondContact O-N 3.17Å; Y402-K404 PolarHBondContact O-N 2.84Å; Y402-K404 VanDerWaalsContact O-N 3.17Å; Y402-L405 PolarHBondContact O-N 3.07Å; Y402-R406 HydrophobicContact CD1-CB 4.35Å; Y402-R406 HydrophobicContact CE1-CB 3.89Å; Y402-R406 HydrophobicContact CE1-CG 4Å; Y402-R406 HydrophobicContact CE2-CB 4.2Å; Y402-R406 HydrophobicContact CE2-CG 4.46Å; Y402-R406 WeakPolarHBondContact O-CB 3.5Å; Y402-R406 PolarHBondContact O-N 3.44Å; Y402-R406 WeakPolarHBondContact OH-CD 3Å; Y402-R406 WeakPolarHBondContact OH-CG 3.26Å; Y402-L428 HydrophobicContact CE2-CB 4.14Å; Y402-L428 HydrophobicContact CE2-CD2 4.09Å; Y402-L428 HydrophobicContact CE2-CG 4.49Å; Y402-L428 WeakPolarHBondContact OH-CB 3.5Å; Y402-D429 PolarHBondContact OH-OD1 2.74Å; Y402-R432 HydrophobicContact CD1-CG 4.23Å; Y402-R432 HydrophobicContact CE1-CB 3.91Å; Y402-R432 HydrophobicContact CE1-CG 3.87Å
403D95.7Very high93.3Very high40 Ų4064.8 Ų64.821%0.21429%0.287CS..Hα-helixtrans-58.2-36-177.8-68.3-18.3000111.1C399 K407 R432C399-D403 WeakPolarHBondContact O-CB 3.49Å; C399-D403 PolarHBondContact O-N 2.94Å; D403-K407 VanDerWaalsContact O-CB 3.27Å; D403-K407 WeakPolarHBondContact O-CB 3.45Å; D403-K407 WeakPolarHBondContact O-CD 3.24Å; D403-K407 WeakPolarHBondContact O-CG 3.34Å; D403-K407 PolarHBondContact O-N 2.87Å; D403-R432 IonicContact OD1-CZ 3.5Å; D403-R432 IonicContact OD1-NE 3.1Å; D403-R432 PolarHBondContact OD1-NE 3.12Å; D403-R432 IonicContact OD1-NH2 3.37Å; D403-R432 IonicContact OD2-CZ 2.84Å; D403-R432 IonicContact OD2-NE 2.7Å; D403-R432 PolarHBondContact OD2-NE 2.98Å; D403-R432 IonicContact OD2-NH2 3.27Å; D403-R432 PolarHBondContact OD2-NH2 3.41Å; D403-R432 VanDerWaalsContact OD2-NH2 3.11Å
404K93.5Very high93.1Very high134 Ų13468.6 Ų68.658%0.58330%0.302SS*.Hα-helixtrans-65.5-37.4177.1-172.9-179.7178.6-175.70112.6R400 Q401 Y402R400-K404 PolarHBondContact O-N 3.44Å; R400-K404 VanDerWaalsContact O-N 3.16Å; Q401-K404 PolarHBondContact O-N 3.37Å; Y402-K404 PolarHBondContact O-N 2.84Å; Y402-K404 VanDerWaalsContact O-N 3.17Å
405L93.3Very high93.1Very high31 Ų3168.7 Ų68.716%0.16230%0.302CS..Hα-helixtrans-78.2-48176.9-64.1-178.9000111P192 Y193 Q401 Y402 K407 R408 E409 A410 F411P192-L405 HydrophobicContact CB-CD1 4.08Å; P192-L405 HydrophobicContact CG-CD1 3.78Å; Y193-L405 HydrophobicContact CD2-CD1 4.35Å; Y193-L405 HydrophobicContact CE1-CB 4.45Å; Y193-L405 HydrophobicContact CE2-CB 4.03Å; Y193-L405 HydrophobicContact CE2-CD1 4.01Å; Y193-L405 WeakPolarHBondContact OH-CB 2.94Å; Q401-L405 PolarHBondContact O-N 3.47Å; Y402-L405 PolarHBondContact O-N 3.07Å; L405-K407 PolarHBondContact O-N 2.92Å; L405-R408 CarbonylContact O-C 3.56Å; L405-R408 PolarHBondContact O-N 3.49Å; L405-E409 PolarHBondContact O-N 2.9Å; L405-A410 HydrophobicContact CD2-CB 4.32Å; L405-A410 PolarHBondContact O-N 3.08Å; L405-A410 VanDerWaalsContact O-N 3.15Å; L405-F411 HydrophobicContact CD2-CD2 4.41Å; L405-F411 HydrophobicContact CD2-CE2 4.34Å
406R94.1Very high92.9Very high52 Ų5274.9 Ų74.920%0.19633%0.326CS..Hα-helixtrans-60.5-42.1-176.7-178.966.2177.7100.2-1.9112.6Y193 Y402 R408 E409 D429Y193-R406 HydrophobicContact CE1-CB 4.43Å; Y193-R406 PolarHBondContact OH-N 3.34Å; Y402-R406 HydrophobicContact CD1-CB 4.35Å; Y402-R406 HydrophobicContact CE1-CB 3.89Å; Y402-R406 HydrophobicContact CE1-CG 4Å; Y402-R406 HydrophobicContact CE2-CB 4.2Å; Y402-R406 HydrophobicContact CE2-CG 4.46Å; Y402-R406 WeakPolarHBondContact O-CB 3.5Å; Y402-R406 PolarHBondContact O-N 3.44Å; Y402-R406 WeakPolarHBondContact OH-CD 3Å; Y402-R406 WeakPolarHBondContact OH-CG 3.26Å; R406-R408 PolarHBondContact O-N 3.33Å; R406-E409 IonicContact NH1-OE1 3.66Å; R406-E409 PolarHBondContact O-N 3.36Å; R406-D429 IonicContact CZ-OD1 3.98Å; R406-D429 IonicContact NE-OD1 2.85Å; R406-D429 PolarHBondContact NE-OD1 3.34Å; R406-D429 VanDerWaalsContact NE-OD1 3.1Å; R406-D429 IonicContact NH2-OD1 3.25Å; R406-D429 PolarHBondContact NH2-OD1 3.44Å; R406-D429 IonicContact NH2-OD2 2.7Å; R406-D429 PolarHBondContact NH2-OD2 2.8Å
407K94.1Very high92.8Very high176 Ų17679.5 Ų79.577%0.76534%0.343SS*.THydrogen-bonded Turntrans-62.3-20.4176.7-75.7174.5-177.2178.50114.1D403 L405D403-K407 VanDerWaalsContact O-CB 3.27Å; D403-K407 WeakPolarHBondContact O-CB 3.45Å; D403-K407 WeakPolarHBondContact O-CD 3.24Å; D403-K407 WeakPolarHBondContact O-CG 3.34Å; D403-K407 PolarHBondContact O-N 2.87Å; L405-K407 PolarHBondContact O-N 2.92Å
408R94.6Very high92.7Very high187 Ų18777 Ų7771%0.70634%0.335SS*.THydrogen-bonded Turntrans-104.82.6178.1-61.8177.3-177.4-173.1-3112.2L405 R406 A410L405-R408 CarbonylContact O-C 3.56Å; L405-R408 PolarHBondContact O-N 3.49Å; R406-R408 PolarHBondContact O-N 3.33Å; R408-A410 HydrophobicContact CB-CB 4.36Å; R408-A410 PolarHBondContact O-N 3.47Å
409E92.3Very high92.4Very high123 Ų12382 Ų8258%0.57536%0.362SS*.THydrogen-bonded Turntrans49.931.3-172.6-56.9-16614000113.1L405 R406 L412L405-E409 PolarHBondContact O-N 2.9Å; R406-E409 IonicContact NH1-OE1 3.66Å; R406-E409 PolarHBondContact O-N 3.36Å; E409-L412 HydrophobicContact CB-CD1 4.01Å; E409-L412 HydrophobicContact CG-CD1 4.47Å
410A92.7Very high92.2Very high24 Ų2484.2 Ų84.220%0.19837%0.373CS..THydrogen-bonded Turntrans-74.6134.9-172.200000111.4Y193 L405 R408 L412Y193-A410 VanDerWaalsContact CE2-O 3.25Å; Y193-A410 WeakPolarHBondContact CE2-O 3.47Å; Y193-A410 PolarHBondContact OH-O 3.48Å; L405-A410 HydrophobicContact CD2-CB 4.32Å; L405-A410 PolarHBondContact O-N 3.08Å; L405-A410 VanDerWaalsContact O-N 3.15Å; R408-A410 HydrophobicContact CB-CB 4.36Å; R408-A410 PolarHBondContact O-N 3.47Å; A410-L412 VanDerWaalsContact C-N 3.28Å; A410-L412 PolarHBondContact O-N 3.07Å
411F91.3Very high92.1Very high99 Ų9976.6 Ų76.643%0.43435%0.345SS..THydrogen-bonded Turntrans62.125.5172.6-46.8-70.1000115.3V189 V190 L405V189-F411 HydrophobicContact CB-CD2 4.39Å; V189-F411 HydrophobicContact CB-CE2 4.05Å; V189-F411 HydrophobicContact CB-CZ 4.15Å; V189-F411 HydrophobicContact CG2-CD1 4.03Å; V189-F411 HydrophobicContact CG2-CD2 4.2Å; V189-F411 HydrophobicContact CG2-CE1 4Å; V189-F411 HydrophobicContact CG2-CE2 4.17Å; V189-F411 HydrophobicContact CG2-CG 4.13Å; V189-F411 HydrophobicContact CG2-CZ 4.08Å; V190-F411 HydrophobicContact CG1-CB 3.71Å; V190-F411 HydrophobicContact CG1-CG 4.41Å; L405-F411 HydrophobicContact CD2-CD2 4.41Å; L405-F411 HydrophobicContact CD2-CE2 4.34Å
412L92.5Very high92Very high7 Ų780.4 Ų80.44%0.03736%0.36CS..  trans-85.6-14-178.7-68.6179.6000113.5Y193 E409 A410 Q414 F415 R416 F425 L428Y193-L412 HydrophobicContact CE1-CD2 3.9Å; Y193-L412 HydrophobicContact CE2-CD2 4.09Å; E409-L412 HydrophobicContact CB-CD1 4.01Å; E409-L412 HydrophobicContact CG-CD1 4.47Å; A410-L412 VanDerWaalsContact C-N 3.28Å; A410-L412 PolarHBondContact O-N 3.07Å; L412-Q414 VanDerWaalsContact C-N 3.28Å; L412-Q414 PolarHBondContact O-N 3.21Å; L412-F415 WeakPolarHBondContact O-CB 3.4Å; L412-F415 PolarHBondContact O-N 3.2Å; L412-F415 VanDerWaalsContact O-N 3.07Å; L412-R416 PolarHBondContact O-N 3.17Å; L412-F425 HydrophobicContact CB-CE1 4.1Å; L412-F425 HydrophobicContact CB-CE2 4.3Å; L412-F425 HydrophobicContact CB-CZ 3.69Å; L412-F425 HydrophobicContact CD1-CD2 4.23Å; L412-F425 HydrophobicContact CD1-CE1 4.48Å; L412-F425 HydrophobicContact CD1-CE2 3.92Å; L412-F425 HydrophobicContact CD1-CZ 4.08Å; L412-F425 HydrophobicContact CD2-CD1 4.39Å; L412-F425 HydrophobicContact CD2-CE1 4.14Å; L412-F425 HydrophobicContact CD2-CZ 4.45Å; L412-F425 HydrophobicContact CG-CE1 4.48Å; L412-F425 HydrophobicContact CG-CZ 4.29Å; L412-L428 HydrophobicContact CD2-CD1 3.91Å
413E90.8Very high91.7Very high126 Ų12687 Ų8759%0.58940%0.395SS*.THydrogen-bonded Turntrans-61.4-35.8-175.4-67.177.1-172.700112.5
414Q88.9Confident91.6Very high106 Ų10688.3 Ų88.350%0.49540%0.403SS..THydrogen-bonded Turntrans-75.1-30.1177.5-61-64.9-000112.2N103 L412N103-Q414 PolarHBondContact ND2-O 2.68Å; N103-Q414 VanDerWaalsContact ND2-O 3.15Å; L412-Q414 VanDerWaalsContact C-N 3.28Å; L412-Q414 PolarHBondContact O-N 3.21Å
415F91.3Very high91.6Very high1 Ų182.7 Ų82.70%0.00438%0.378CS..THydrogen-bonded Turntrans-69.8-43174-72.9-97.2000110.3N103 W104 A105 V190 Y193 L197 L412 K417 E418 F421 F425N103-F415 VanDerWaalsContact OD1-CE1 3.31Å; N103-F415 WeakPolarHBondContact OD1-CE1 3.29Å; W104-F415 HydrophobicContact CB-CE1 4.35Å; A105-F415 HydrophobicContact CB-CD1 3.78Å; A105-F415 HydrophobicContact CB-CE1 4.31Å; V190-F415 HydrophobicContact CB-CE2 4.07Å; V190-F415 HydrophobicContact CB-CZ 4.35Å; V190-F415 HydrophobicContact CG1-CE2 4Å; Y193-F415 HydrophobicContact CD2-CE2 4.16Å; Y193-F415 HydrophobicContact CD2-CZ 4.45Å; Y193-F415 HydrophobicContact CG-CE2 4.49Å; Y193-F415 HydrophobicContact CG-CZ 4.4Å; L197-F415 HydrophobicContact CD1-CE1 4.2Å; L412-F415 WeakPolarHBondContact O-CB 3.4Å; L412-F415 PolarHBondContact O-N 3.2Å; L412-F415 VanDerWaalsContact O-N 3.07Å; F415-K417 PolarHBondContact O-N 3.05Å; F415-E418 WeakPolarHBondContact O-CB 3.46Å; F415-E418 PolarHBondContact O-N 2.78Å; F415-F421 HydrophobicContact CB-CB 4.37Å; F415-F421 HydrophobicContact CB-CD2 3.89Å; F415-F421 HydrophobicContact CB-CG 4.23Å; F415-F421 AromaticContact CD1-CD2 3.9Å; F415-F421 HydrophobicContact CD1-CD2 3.9Å; F415-F421 AromaticContact CD1-CE2 3.72Å; F415-F421 HydrophobicContact CD1-CE2 3.72Å; F415-F421 HydrophobicContact CD1-CZ 4.47Å; F415-F421 HydrophobicContact CG-CD2 4.41Å; F415-F421 WeakPolarHBondContact O-CB 3.48Å; F415-F425 HydrophobicContact CB-CE1 4.25Å
416R92.5Very high91.6Very high130 Ų13085.8 Ų85.849%0.49140%0.395SS..THydrogen-bonded Turntrans-60.4-18.9-179-165.8-178.4-85.3-1037.9114.6L412 E418 F425L412-R416 PolarHBondContact O-N 3.17Å; R416-E418 PolarHBondContact O-N 3.12Å; R416-F425 HydrophobicContact CB-CZ 4.16Å
417K90.5Very high91.7Very high142 Ų14284.9 Ų84.962%0.61739%0.393SS*.THydrogen-bonded Turntrans-73-18.8174.9-68.2175.6-174.1173.40113.1F415F415-K417 PolarHBondContact O-N 3.05Å
418E90.1Very high91.8Very high24 Ų2476.5 Ų76.511%0.11236%0.357CS..SBendtrans-94.8144.8-175.9-56.7-61.9160.700110.9A105 Q110 F415 R416 I420 F421 K422A105-E418 HydrophobicContact CB-CB 3.7Å; A105-E418 HydrophobicContact CB-CG 3.55Å; Q110-E418 WeakPolarHBondContact CB-OE2 3.42Å; F415-E418 WeakPolarHBondContact O-CB 3.46Å; F415-E418 PolarHBondContact O-N 2.78Å; R416-E418 PolarHBondContact O-N 3.12Å; E418-I420 PolarHBondContact O-N 2.9Å; E418-I420 VanDerWaalsContact O-N 3.1Å; E418-F421 CarbonylContact O-C 3.58Å; E418-F421 PolarHBondContact O-N 3.33Å; E418-K422 PolarHBondContact O-N 3.27Å; E418-K422 VanDerWaalsContact O-N 3.1Å
419D86.9Confident91.8Very high106 Ų10670.2 Ų70.257%0.56734%0.337SS*.G310 helixtrans-53.4-39.5-170.4-68.6-29.7000113.7F421 K422D419-F421 PolarHBondContact O-N 2.91Å; D419-K422 PolarHBondContact O-N 2.84Å
420I89.4Confident92Very high47 Ų4767.4 Ų67.424%0.24133%0.326CS..G310 helixtrans-67.6-20.8-178.1-165.3171.8000113.6W104 A105 Y108 S109 E418 E427W104-I420 HydrophobicContact CH2-CD1 4.1Å; W104-I420 HydrophobicContact CZ3-CD1 4.09Å; W104-I420 HydrophobicContact CZ3-CG2 4.33Å; A105-I420 HydrophobicContact CB-CG2 4.43Å; Y108-I420 HydrophobicContact CD1-CD1 4.17Å; Y108-I420 HydrophobicContact CE1-CD1 3.84Å; S109-I420 WeakPolarHBondContact OG-CG2 3.33Å; E418-I420 PolarHBondContact O-N 2.9Å; E418-I420 VanDerWaalsContact O-N 3.1Å; I420-E427 HydrophobicContact CD1-CB 4.38Å; I420-E427 HydrophobicContact CD1-CG 3.82Å; I420-E427 HydrophobicContact CG1-CB 4.37Å; I420-E427 HydrophobicContact CG1-CG 4.34Å
421F93.3Very high92.2Very high0 Ų066.3 Ų66.30%032%0.317CS..G310 helixtrans-120.69.9-177.6-62.9-62.2000113.3W104 A105 L197 F415 E418 D419 N424 F425 E427 L428W104-F421 HydrophobicContact CE3-CE2 4.08Å; W104-F421 HydrophobicContact CE3-CZ 4.44Å; W104-F421 HydrophobicContact CZ3-CE2 4Å; W104-F421 HydrophobicContact CZ3-CZ 4.18Å; A105-F421 HydrophobicContact CB-CD2 3.61Å; A105-F421 HydrophobicContact CB-CE2 3.6Å; L197-F421 HydrophobicContact CD1-CE2 4.4Å; L197-F421 HydrophobicContact CD1-CZ 3.98Å; L197-F421 HydrophobicContact CD2-CZ 3.99Å; F415-F421 HydrophobicContact CB-CB 4.37Å; F415-F421 HydrophobicContact CB-CD2 3.89Å; F415-F421 HydrophobicContact CB-CG 4.23Å; F415-F421 AromaticContact CD1-CD2 3.9Å; F415-F421 HydrophobicContact CD1-CD2 3.9Å; F415-F421 AromaticContact CD1-CE2 3.72Å; F415-F421 HydrophobicContact CD1-CE2 3.72Å; F415-F421 HydrophobicContact CD1-CZ 4.47Å; F415-F421 HydrophobicContact CG-CD2 4.41Å; F415-F421 WeakPolarHBondContact O-CB 3.48Å; E418-F421 CarbonylContact O-C 3.58Å; E418-F421 PolarHBondContact O-N 3.33Å; D419-F421 PolarHBondContact O-N 2.91Å; F421-N424 CarbonylContact C-O 3.49Å; F421-N424 VanDerWaalsContact CA-O 3.29Å; F421-N424 WeakPolarHBondContact CA-O 3.38Å; F421-F425 HydrophobicContact CB-CD1 4.09Å; F421-F425 HydrophobicContact CB-CE1 3.98Å; F421-F425 AromaticContact CD1-CD1 3.74Å; F421-F425 HydrophobicContact CD1-CD1 3.74Å; F421-F425 HydrophobicContact CD1-CE1 4.4Å; F421-F425 HydrophobicContact CG-CD1 4.16Å; F421-F425 HydrophobicContact CG-CE1 4.38Å; F421-E427 HydrophobicContact CE1-CB 3.79Å; F421-E427 HydrophobicContact CE1-CG 4.24Å; F421-E427 HydrophobicContact CZ-CB 4.32Å; F421-E427 HydrophobicContact CZ-CG 4.27Å; F421-L428 HydrophobicContact CE1-CD1 4.38Å; F421-L428 HydrophobicContact CE1-CD2 4.42Å; F421-L428 HydrophobicContact CE1-CG 3.73Å; F421-L428 HydrophobicContact CZ-CD2 4.34Å; F421-L428 HydrophobicContact CZ-CG 4.14Å
422K89.3Confident92.5Very high131 Ų13163.6 Ų63.657%0.5730%0.303SS*.SBendtrans-64.1-43.9-175.2-174.2-179.9178.7-177.80112E418 D419E418-K422 PolarHBondContact O-N 3.27Å; E418-K422 VanDerWaalsContact O-N 3.1Å; D419-K422 PolarHBondContact O-N 2.84Å
423D89.4Confident92.8Very high140 Ų14068.7 Ų68.775%0.74933%0.327SS*.SBendtrans-93.2-42.7-173.9-60.1-36.3000112.1
424N92.4Very high93.1Very high69 Ų6963.4 Ų63.437%0.36930%0.303SS..  trans-151.8-178.8-179.967.140.8000112.2F421 D426F421-N424 CarbonylContact C-O 3.49Å; F421-N424 VanDerWaalsContact CA-O 3.29Å; F421-N424 WeakPolarHBondContact CA-O 3.38Å; N424-D426 VanDerWaalsContact CG-OD2 3.25Å; N424-D426 VanDerWaalsContact ND2-CG 3.29Å; N424-D426 PolarHBondContact ND2-OD2 3.45Å; N424-D426 WeakPolarHBondContact OD1-CB 3.49Å; N424-D426 PolarHBondContact OD1-N 2.94Å; N424-D426 PolarHBondContact OD1-OD1 3.39Å; N424-D426 PolarHBondContact OD1-OD2 2.93Å
425F94.1Very high93.5Very high15 Ų1558.3 Ų58.37%0.06628%0.28CS..  trans-113.424177.6-65.6-69.3000112.6L412 F415 R416 F421 E427 L428 D429L412-F425 HydrophobicContact CB-CE1 4.1Å; L412-F425 HydrophobicContact CB-CE2 4.3Å; L412-F425 HydrophobicContact CB-CZ 3.69Å; L412-F425 HydrophobicContact CD1-CD2 4.23Å; L412-F425 HydrophobicContact CD1-CE1 4.48Å; L412-F425 HydrophobicContact CD1-CE2 3.92Å; L412-F425 HydrophobicContact CD1-CZ 4.08Å; L412-F425 HydrophobicContact CD2-CD1 4.39Å; L412-F425 HydrophobicContact CD2-CE1 4.14Å; L412-F425 HydrophobicContact CD2-CZ 4.45Å; L412-F425 HydrophobicContact CG-CE1 4.48Å; L412-F425 HydrophobicContact CG-CZ 4.29Å; F415-F425 HydrophobicContact CB-CE1 4.25Å; R416-F425 HydrophobicContact CB-CZ 4.16Å; F421-F425 HydrophobicContact CB-CD1 4.09Å; F421-F425 HydrophobicContact CB-CE1 3.98Å; F421-F425 AromaticContact CD1-CD1 3.74Å; F421-F425 HydrophobicContact CD1-CD1 3.74Å; F421-F425 HydrophobicContact CD1-CE1 4.4Å; F421-F425 HydrophobicContact CG-CD1 4.16Å; F421-F425 HydrophobicContact CG-CE1 4.38Å; F425-E427 PolarHBondContact O-N 2.75Å; F425-E427 VanDerWaalsContact O-N 3.13Å; F425-L428 HydrophobicContact CB-CD1 4.21Å; F425-L428 HydrophobicContact CD1-CD1 3.92Å; F425-L428 HydrophobicContact CG-CD1 4.36Å; F425-L428 WeakPolarHBondContact O-CB 3.37Å; F425-L428 PolarHBondContact O-N 3.29Å; F425-D429 PolarHBondContact O-N 3.3Å
426D94.2Very high93.8Very high96 Ų9660.9 Ų60.951%0.51329%0.292SS..Hα-helixtrans-59.5-31.6-173.7-63.1-3.8000111.6N424 L428 D429 N430N424-D426 VanDerWaalsContact CG-OD2 3.25Å; N424-D426 VanDerWaalsContact ND2-CG 3.29Å; N424-D426 PolarHBondContact ND2-OD2 3.45Å; N424-D426 WeakPolarHBondContact OD1-CB 3.49Å; N424-D426 PolarHBondContact OD1-N 2.94Å; N424-D426 PolarHBondContact OD1-OD1 3.39Å; N424-D426 PolarHBondContact OD1-OD2 2.93Å; D426-L428 VanDerWaalsContact C-N 3.3Å; D426-L428 PolarHBondContact O-N 3.46Å; D426-D429 PolarHBondContact O-N 3.15Å; D426-N430 VanDerWaalsContact O-CB 3.31Å; D426-N430 WeakPolarHBondContact O-CB 3.46Å; D426-N430 PolarHBondContact O-N 3.41Å
427E95.4Very high94Very high34 Ų3460.1 Ų60.116%0.15929%0.294CS..Hα-helixtrans-64.8-33176.4178.260.1-156.800112.6L197 K200 R201 I420 F421 F425 S431L197-E427 HydrophobicContact CD2-CG 3.89Å; K200-E427 VanDerWaalsContact NZ-CD 3.26Å; K200-E427 IonicContact NZ-OE1 3.4Å; K200-E427 PolarHBondContact NZ-OE1 2.84Å; K200-E427 IonicContact NZ-OE2 3.41Å; K200-E427 PolarHBondContact NZ-OE2 3.38Å; R201-E427 IonicContact CZ-OE1 3Å; R201-E427 IonicContact NH1-OE1 2.97Å; R201-E427 PolarHBondContact NH1-OE1 2.95Å; R201-E427 IonicContact NH2-OE1 2.78Å; R201-E427 PolarHBondContact NH2-OE1 3.23Å; I420-E427 HydrophobicContact CD1-CB 4.38Å; I420-E427 HydrophobicContact CD1-CG 3.82Å; I420-E427 HydrophobicContact CG1-CB 4.37Å; I420-E427 HydrophobicContact CG1-CG 4.34Å; F421-E427 HydrophobicContact CE1-CB 3.79Å; F421-E427 HydrophobicContact CE1-CG 4.24Å; F421-E427 HydrophobicContact CZ-CB 4.32Å; F421-E427 HydrophobicContact CZ-CG 4.27Å; F425-E427 PolarHBondContact O-N 2.75Å; F425-E427 VanDerWaalsContact O-N 3.13Å; E427-S431 VanDerWaalsContact O-CB 3.29Å; E427-S431 WeakPolarHBondContact O-CB 3.24Å; E427-S431 PolarHBondContact O-N 3Å; E427-S431 PolarHBondContact O-OG 3.18Å
428L95.6Very high94.3Very high0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-69.6-43172.8-72.3174000110.8Y193 L197 Y402 L412 F421 F425 D426 S431 R432Y193-L428 HydrophobicContact CD1-CD1 4.1Å; Y193-L428 HydrophobicContact CD1-CD2 4Å; Y193-L428 HydrophobicContact CE1-CD1 4.24Å; L197-L428 HydrophobicContact CD1-CD2 3.59Å; L197-L428 HydrophobicContact CD2-CD2 3.91Å; L197-L428 HydrophobicContact CG-CD2 3.71Å; Y402-L428 HydrophobicContact CE2-CB 4.14Å; Y402-L428 HydrophobicContact CE2-CD2 4.09Å; Y402-L428 HydrophobicContact CE2-CG 4.49Å; Y402-L428 WeakPolarHBondContact OH-CB 3.5Å; L412-L428 HydrophobicContact CD2-CD1 3.91Å; F421-L428 HydrophobicContact CE1-CD1 4.38Å; F421-L428 HydrophobicContact CE1-CD2 4.42Å; F421-L428 HydrophobicContact CE1-CG 3.73Å; F421-L428 HydrophobicContact CZ-CD2 4.34Å; F421-L428 HydrophobicContact CZ-CG 4.14Å; F425-L428 HydrophobicContact CB-CD1 4.21Å; F425-L428 HydrophobicContact CD1-CD1 3.92Å; F425-L428 HydrophobicContact CG-CD1 4.36Å; F425-L428 WeakPolarHBondContact O-CB 3.37Å; F425-L428 PolarHBondContact O-N 3.29Å; D426-L428 VanDerWaalsContact C-N 3.3Å; D426-L428 PolarHBondContact O-N 3.46Å; L428-S431 PolarHBondContact O-N 3.21Å; L428-R432 WeakPolarHBondContact O-CB 3.26Å; L428-R432 PolarHBondContact O-N 2.64Å
429D94.4Very high94.6Very high55 Ų5553 Ų5329%0.29426%0.263SS..Hα-helixtrans-69.5-41.4-176.5-61.1-28000110.2Y402 R406 F425 D426 S431 R432 E433Y402-D429 PolarHBondContact OH-OD1 2.74Å; R406-D429 IonicContact CZ-OD1 3.98Å; R406-D429 IonicContact NE-OD1 2.85Å; R406-D429 PolarHBondContact NE-OD1 3.34Å; R406-D429 VanDerWaalsContact NE-OD1 3.1Å; R406-D429 IonicContact NH2-OD1 3.25Å; R406-D429 PolarHBondContact NH2-OD1 3.44Å; R406-D429 IonicContact NH2-OD2 2.7Å; R406-D429 PolarHBondContact NH2-OD2 2.8Å; F425-D429 PolarHBondContact O-N 3.3Å; D426-D429 PolarHBondContact O-N 3.15Å; D429-S431 PolarHBondContact O-N 3.43Å; D429-R432 WeakPolarHBondContact O-CB 3.49Å; D429-R432 PolarHBondContact O-N 3.22Å; D429-E433 PolarHBondContact O-N 3.38Å
430N97.1Very high95Very high64 Ų6451.2 Ų51.234%0.34225%0.254SS..Hα-helixtrans-63.8-40.8171.4-177.7-101.9000112.4K200 D426 R432 E433 V434K200-N430 VanDerWaalsContact CE-OD1 3.3Å; K200-N430 WeakPolarHBondContact CE-OD1 3.26Å; K200-N430 PolarHBondContact NZ-OD1 3.06Å; D426-N430 VanDerWaalsContact O-CB 3.31Å; D426-N430 WeakPolarHBondContact O-CB 3.46Å; D426-N430 PolarHBondContact O-N 3.41Å; N430-R432 VanDerWaalsContact C-N 3.26Å; N430-R432 PolarHBondContact O-N 3.4Å; N430-E433 PolarHBondContact O-N 3.2Å; N430-V434 WeakPolarHBondContact O-CG2 3.27Å; N430-V434 PolarHBondContact O-N 3.45Å
431S97.6Very high95.3Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-60.8-38.4173.7-61.50000111.9K200 E427 L428 D429 E433 V435K200-S431 WeakPolarHBondContact CD-OG 3.34Å; E427-S431 VanDerWaalsContact O-CB 3.29Å; E427-S431 WeakPolarHBondContact O-CB 3.24Å; E427-S431 PolarHBondContact O-N 3Å; E427-S431 PolarHBondContact O-OG 3.18Å; L428-S431 PolarHBondContact O-N 3.21Å; D429-S431 PolarHBondContact O-N 3.43Å; S431-E433 VanDerWaalsContact C-N 3.35Å; S431-V435 VanDerWaalsContact O-CG2 3.31Å; S431-V435 WeakPolarHBondContact O-CG2 3.43Å; S431-V435 PolarHBondContact O-N 2.88Å; S431-V435 VanDerWaalsContact O-N 3.11Å
432R97.8Very high95.4Very high42 Ų4249.5 Ų49.516%0.15825%0.245CC..Hα-helixtrans-64.2-39.9177.217959.6-177.685.60.9112.2L196 Y402 D403 L428 D429 N430 Q436L196-R432 HydrophobicContact CD2-CB 3.91Å; Y402-R432 HydrophobicContact CD1-CG 4.23Å; Y402-R432 HydrophobicContact CE1-CB 3.91Å; Y402-R432 HydrophobicContact CE1-CG 3.87Å; D403-R432 IonicContact OD1-CZ 3.5Å; D403-R432 IonicContact OD1-NE 3.1Å; D403-R432 PolarHBondContact OD1-NE 3.12Å; D403-R432 IonicContact OD1-NH2 3.37Å; D403-R432 IonicContact OD2-CZ 2.84Å; D403-R432 IonicContact OD2-NE 2.7Å; D403-R432 PolarHBondContact OD2-NE 2.98Å; D403-R432 IonicContact OD2-NH2 3.27Å; D403-R432 PolarHBondContact OD2-NH2 3.41Å; D403-R432 VanDerWaalsContact OD2-NH2 3.11Å; L428-R432 WeakPolarHBondContact O-CB 3.26Å; L428-R432 PolarHBondContact O-N 2.64Å; D429-R432 WeakPolarHBondContact O-CB 3.49Å; D429-R432 PolarHBondContact O-N 3.22Å; N430-R432 VanDerWaalsContact C-N 3.26Å; N430-R432 PolarHBondContact O-N 3.4Å; R432-Q436 VanDerWaalsContact NH2-OE1 3.14Å; R432-Q436 WeakPolarHBondContact O-CB 3.44Å; R432-Q436 PolarHBondContact O-N 2.91Å
433E97.6Very high95.6Very high114 Ų11446.4 Ų46.453%0.53324%0.237SC..Hα-helixtrans-67.8-47.4176.8-72.2178.8174.200112.1D429 N430 S431 V435 Q436 Q437D429-E433 PolarHBondContact O-N 3.38Å; N430-E433 PolarHBondContact O-N 3.2Å; S431-E433 VanDerWaalsContact C-N 3.35Å; E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3.42Å; E433-Q436 WeakPolarHBondContact O-CA 3.49Å; E433-Q436 WeakPolarHBondContact O-CB 3.49Å; E433-Q436 PolarHBondContact O-N 2.9Å; E433-Q437 WeakPolarHBondContact O-CG 3.47Å; E433-Q437 PolarHBondContact O-N 2.94Å
434V97.7Very high95.8Very high15 Ų1540 Ų409%0.09120%0.203CC..Hα-helixtrans-58.4-44.5178.3172.30000111K200 T203 Q204 N430 Q436 Q437 L438K200-V434 HydrophobicContact CD-CG2 4.31Å; K200-V434 HydrophobicContact CG-CB 4.28Å; K200-V434 HydrophobicContact CG-CG1 4.2Å; K200-V434 HydrophobicContact CG-CG2 4.33Å; T203-V434 HydrophobicContact CG2-CG1 4.22Å; Q204-V434 HydrophobicContact CG-CG1 4.31Å; N430-V434 WeakPolarHBondContact O-CG2 3.27Å; N430-V434 PolarHBondContact O-N 3.45Å; V434-Q436 VanDerWaalsContact C-N 3.33Å; V434-Q436 PolarHBondContact O-N 3.27Å; V434-Q437 PolarHBondContact O-N 2.79Å; V434-L438 PolarHBondContact O-N 3.41Å
435V97.5Very high95.9Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-69.5-31.6178179.90000111.5L196 L199 F395 C399 S431 E433 L438 V439L196-V435 HydrophobicContact CD1-CB 3.96Å; L196-V435 HydrophobicContact CD1-CG1 4.21Å; L196-V435 HydrophobicContact CD1-CG2 3.88Å; L199-V435 HydrophobicContact CB-CG2 3.73Å; L199-V435 HydrophobicContact CD1-CG1 4.42Å; F395-V435 HydrophobicContact CB-CG1 3.95Å; C399-V435 VanDerWaalsContact SG-CG1 3.6Å; S431-V435 VanDerWaalsContact O-CG2 3.31Å; S431-V435 WeakPolarHBondContact O-CG2 3.43Å; S431-V435 PolarHBondContact O-N 2.88Å; S431-V435 VanDerWaalsContact O-N 3.11Å; E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3.42Å; V435-L438 WeakPolarHBondContact O-CB 3.44Å; V435-L438 PolarHBondContact O-N 3.13Å; V435-V439 WeakPolarHBondContact O-CG2 3.47Å; V435-V439 PolarHBondContact O-N 3.31Å; V435-V439 VanDerWaalsContact O-N 3.09Å
436Q97.3Very high95.9Very high54 Ų5437.1 Ų37.125%0.25219%0.19SC..Hα-helixtrans-64.3-48.5172.2-168.454.859.300111.5R432 E433 V434 L438 V439 D440R432-Q436 VanDerWaalsContact NH2-OE1 3.14Å; R432-Q436 WeakPolarHBondContact O-CB 3.44Å; R432-Q436 PolarHBondContact O-N 2.91Å; E433-Q436 WeakPolarHBondContact O-CA 3.49Å; E433-Q436 WeakPolarHBondContact O-CB 3.49Å; E433-Q436 PolarHBondContact O-N 2.9Å; V434-Q436 VanDerWaalsContact C-N 3.33Å; V434-Q436 PolarHBondContact O-N 3.27Å; Q436-L438 PolarHBondContact O-N 2.95Å; Q436-V439 WeakPolarHBondContact O-CA 3.28Å; Q436-V439 WeakPolarHBondContact O-CB 3.38Å; Q436-V439 PolarHBondContact O-N 3.13Å; Q436-D440 PolarHBondContact NE2-OD1 3.26Å; Q436-D440 PolarHBondContact O-N 3.12Å
437Q96.6Very high95.8Very high114 Ų11439 Ų3953%0.53319%0.189SC..Hα-helixtrans-57.7-38.6177.9-71.2175-3.600111.1E433 V434 D440 E441E433-Q437 WeakPolarHBondContact O-CG 3.47Å; E433-Q437 PolarHBondContact O-N 2.94Å; V434-Q437 PolarHBondContact O-N 2.79Å; Q437-D440 PolarHBondContact O-N 2.69Å; Q437-E441 WeakPolarHBondContact O-CB 3.46Å; Q437-E441 PolarHBondContact O-N 3.49Å
438L96.6Very high95.6Very high4 Ų442 Ų422%0.02121%0.213CC..Hα-helixtrans-61.3-46.5173.3-178.265.6000111.9T203 R272 L273 F275 F395 V434 V435 Q436 D440 E441 Y442T203-L438 HydrophobicContact CG2-CB 4.39Å; T203-L438 HydrophobicContact CG2-CD1 4.11Å; T203-L438 HydrophobicContact CG2-CD2 4.14Å; T203-L438 HydrophobicContact CG2-CG 4.44Å; R272-L438 WeakPolarHBondContact O-CD1 3.42Å; L273-L438 HydrophobicContact CD2-CD1 4.17Å; F275-L438 HydrophobicContact CD2-CD2 4.26Å; F275-L438 HydrophobicContact CE2-CD1 4.46Å; F275-L438 HydrophobicContact CE2-CD2 3.59Å; F275-L438 HydrophobicContact CZ-CD2 4.09Å; F395-L438 HydrophobicContact CD2-CD2 3.82Å; F395-L438 HydrophobicContact CD2-CG 4.29Å; F395-L438 HydrophobicContact CE2-CD2 3.75Å; F395-L438 HydrophobicContact CE2-CG 4.34Å; F395-L438 HydrophobicContact CG-CD2 4.48Å; F395-L438 HydrophobicContact CZ-CD2 4.32Å; V434-L438 PolarHBondContact O-N 3.41Å; V435-L438 WeakPolarHBondContact O-CB 3.44Å; V435-L438 PolarHBondContact O-N 3.13Å; Q436-L438 PolarHBondContact O-N 2.95Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 3.17Å; L438-E441 PolarHBondContact O-N 3.02Å; L438-Y442 HydrophobicContact CD1-CD2 4.02Å; L438-Y442 HydrophobicContact CD1-CE2 3.56Å; L438-Y442 HydrophobicContact CD2-CE2 4.26Å; L438-Y442 HydrophobicContact CG-CD2 3.95Å; L438-Y442 HydrophobicContact CG-CE2 3.74Å; L438-Y442 WeakPolarHBondContact O-CD2 3.24Å; L438-Y442 PolarHBondContact O-N 3.2Å
439V95.9Very high95.5Very high12 Ų1245 Ų457%0.07323%0.228CC..Hα-helixtrans-60.9-42.5176.5169.60000111.4F395 V435 Q436 Y442 T443F395-V439 HydrophobicContact CB-CG2 3.6Å; F395-V439 HydrophobicContact CD2-CG2 4.4Å; V435-V439 WeakPolarHBondContact O-CG2 3.47Å; V435-V439 PolarHBondContact O-N 3.31Å; V435-V439 VanDerWaalsContact O-N 3.09Å; Q436-V439 WeakPolarHBondContact O-CA 3.28Å; Q436-V439 WeakPolarHBondContact O-CB 3.38Å; Q436-V439 PolarHBondContact O-N 3.13Å; V439-Y442 PolarHBondContact O-N 2.93Å; V439-T443 PolarHBondContact O-N 3.34Å; V439-T443 PolarHBondContact O-OG1 3.07Å
440D95Very high95.4Very high70 Ų7043.5 Ų43.537%0.37422%0.219SC..Hα-helixtrans-66.5-41.5-179.5-62.8-19.6000110.6Q436 Q437 L438 T443 A444 W453Q436-D440 PolarHBondContact NE2-OD1 3.26Å; Q436-D440 PolarHBondContact O-N 3.12Å; Q437-D440 PolarHBondContact O-N 2.69Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 3.17Å; D440-T443 WeakPolarHBondContact O-CB 3.4Å; D440-T443 PolarHBondContact O-N 2.98Å; D440-T443 VanDerWaalsContact O-N 3.16Å; D440-A444 WeakPolarHBondContact O-CB 3.32Å; D440-A444 PolarHBondContact O-N 3.49Å; D440-W453 HydrophobicContact CB-CZ2 4.34Å
441E95.8Very high95Very high11 Ų1146.5 Ų46.55%0.05123%0.234CC..Hα-helixtrans-65.8-41.6176.1-168.3175.9-159.300112.3R272 L273 Q437 L438 T443 A444 A445 Y450 W453R272-E441 VanDerWaalsContact CB-OE2 3.26Å; R272-E441 WeakPolarHBondContact CB-OE2 3.26Å; R272-E441 WeakPolarHBondContact CD-OE2 3.43Å; R272-E441 IonicContact CZ-OE1 2.55Å; R272-E441 IonicContact CZ-OE2 3.41Å; R272-E441 VanDerWaalsContact NE-CD 3.34Å; R272-E441 IonicContact NE-OE1 3.58Å; R272-E441 PolarHBondContact NE-OE1 3.29Å; R272-E441 IonicContact NE-OE2 3.3Å; R272-E441 PolarHBondContact NE-OE2 2.77Å; R272-E441 VanDerWaalsContact NH2-CD 3.29Å; R272-E441 IonicContact NH2-OE1 3.47Å; R272-E441 PolarHBondContact NH2-OE1 3.32Å; R272-E441 IonicContact NH2-OE2 2.96Å; R272-E441 PolarHBondContact NH2-OE2 3.38Å; L273-E441 HydrophobicContact CD2-CB 4.18Å; L273-E441 HydrophobicContact CD2-CG 3.92Å; L273-E441 HydrophobicContact CG-CG 4.47Å; Q437-E441 WeakPolarHBondContact O-CB 3.46Å; Q437-E441 PolarHBondContact O-N 3.49Å; L438-E441 PolarHBondContact O-N 3.02Å; E441-T443 PolarHBondContact O-N 3.37Å; E441-A444 PolarHBondContact O-N 2.78Å; E441-A445 WeakPolarHBondContact O-CB 3.42Å; E441-A445 PolarHBondContact O-N 3.04Å; E441-Y450 HydrophobicContact CG-CE2 3.85Å; E441-Y450 PolarHBondContact OE1-OH 2.94Å; E441-W453 HydrophobicContact CB-CH2 3.8Å; E441-W453 HydrophobicContact CB-CZ3 3.85Å; E441-W453 HydrophobicContact CG-CE3 4.21Å; E441-W453 HydrophobicContact CG-CH2 4.19Å; E441-W453 HydrophobicContact CG-CZ3 3.7Å
442Y95.6Very high94.5Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-60.3-35.8172.1-88-65.6000112.3L273 F275 T389 I391 F395 L438 V439L273-Y442 WeakPolarHBondContact CA-OH 3.3Å; L273-Y442 HydrophobicContact CB-CD1 4.44Å; L273-Y442 HydrophobicContact CB-CE1 3.77Å; L273-Y442 HydrophobicContact CD1-CD1 4.3Å; L273-Y442 HydrophobicContact CD1-CE1 4.41Å; L273-Y442 HydrophobicContact CD2-CD1 3.82Å; L273-Y442 HydrophobicContact CD2-CD2 3.87Å; L273-Y442 HydrophobicContact CD2-CE1 3.8Å; L273-Y442 HydrophobicContact CD2-CE2 3.8Å; L273-Y442 HydrophobicContact CD2-CG 3.85Å; L273-Y442 HydrophobicContact CG-CD1 4.42Å; L273-Y442 HydrophobicContact CG-CE1 4.2Å; F275-Y442 WeakPolarHBondContact CB-OH 3.42Å; F275-Y442 HydrophobicContact CD2-CE2 4.47Å; F275-Y442 WeakPolarHBondContact CD2-OH 2.97Å; F275-Y442 PolarHBondContact N-OH 2.76Å; T389-Y442 HydrophobicContact CG2-CD1 4.4Å; I391-Y442 HydrophobicContact CG2-CD1 4.14Å; I391-Y442 HydrophobicContact CG2-CD2 4.35Å; I391-Y442 HydrophobicContact CG2-CE1 3.6Å; I391-Y442 HydrophobicContact CG2-CE2 3.89Å; I391-Y442 HydrophobicContact CG2-CG 4.49Å; I391-Y442 VanDerWaalsContact CG2-CZ 3.48Å; F395-Y442 HydrophobicContact CD2-CD2 4.38Å; F395-Y442 HydrophobicContact CD2-CE2 4.3Å; F395-Y442 HydrophobicContact CE2-CD2 4.09Å; F395-Y442 AromaticContact CE2-CE2 3.61Å; F395-Y442 HydrophobicContact CE2-CE2 3.61Å; L438-Y442 HydrophobicContact CD1-CD2 4.02Å; L438-Y442 HydrophobicContact CD1-CE2 3.56Å; L438-Y442 HydrophobicContact CD2-CE2 4.26Å; L438-Y442 HydrophobicContact CG-CD2 3.95Å; L438-Y442 HydrophobicContact CG-CE2 3.74Å; L438-Y442 WeakPolarHBondContact O-CD2 3.24Å; L438-Y442 PolarHBondContact O-N 3.2Å; V439-Y442 PolarHBondContact O-N 2.93Å
443T93.3Very high93.5Very high66 Ų6651.5 Ų51.541%0.40526%0.26SS..Hα-helixtrans-70.7-44.4177-570000110.3V439 D440 E441 A445 T446V439-T443 PolarHBondContact O-N 3.34Å; V439-T443 PolarHBondContact O-OG1 3.07Å; D440-T443 WeakPolarHBondContact O-CB 3.4Å; D440-T443 PolarHBondContact O-N 2.98Å; D440-T443 VanDerWaalsContact O-N 3.16Å; E441-T443 PolarHBondContact O-N 3.37Å; T443-A445 VanDerWaalsContact C-N 3.29Å; T443-A445 PolarHBondContact O-N 3.5Å; T443-T446 WeakPolarHBondContact O-CB 3.42Å; T443-T446 PolarHBondContact O-N 3.44Å; T443-T446 VanDerWaalsContact O-N 3.13Å; T443-T446 PolarHBondContact O-OG1 3.08Å
444A94.4Very high92.1Very high4 Ų448.3 Ų48.33%0.03326%0.258CS..Hα-helixtrans-60-39.3175.100000112.1D440 E441 T446 R447 Y450 W453D440-A444 WeakPolarHBondContact O-CB 3.32Å; D440-A444 PolarHBondContact O-N 3.49Å; E441-A444 PolarHBondContact O-N 2.78Å; A444-T446 PolarHBondContact O-N 2.66Å; A444-R447 WeakPolarHBondContact O-CB 3.09Å; A444-R447 PolarHBondContact O-N 2.74Å; A444-Y450 HydrophobicContact CB-CD2 3.93Å; A444-Y450 HydrophobicContact CB-CE2 4.41Å; A444-W453 HydrophobicContact CB-CB 4.48Å; A444-W453 VanDerWaalsContact CB-CD1 3.42Å; A444-W453 HydrophobicContact CB-CD2 3.68Å; A444-W453 HydrophobicContact CB-CG 3.62Å; A444-W453 HydrophobicContact CB-CZ2 4.22Å; A444-W453 VanDerWaalsContact CB-NE1 3.34Å
445A94.5Very high90.3Very high0 Ų052.3 Ų52.30%028%0.282CS..THydrogen-bonded Turntrans-62-14177.500000114.1L273 W358 T389 E441 T443 R447 Y450L273-A445 HydrophobicContact CD1-CB 3.72Å; W358-A445 PolarHBondContact NE1-O 3.3Å; T389-A445 HydrophobicContact CG2-CB 4.28Å; E441-A445 WeakPolarHBondContact O-CB 3.42Å; E441-A445 PolarHBondContact O-N 3.04Å; T443-A445 VanDerWaalsContact C-N 3.29Å; T443-A445 PolarHBondContact O-N 3.5Å; A445-R447 VanDerWaalsContact C-N 3.29Å; A445-Y450 VanDerWaalsContact CA-CD2 3.47Å; A445-Y450 HydrophobicContact CB-CD2 3.98Å; A445-Y450 HydrophobicContact CB-CE1 4.47Å; A445-Y450 HydrophobicContact CB-CE2 3.93Å; A445-Y450 HydrophobicContact CB-CG 4.27Å
446T93.6Very high88Confident25 Ų2560.3 Ų60.315%0.15332%0.319CS..THydrogen-bonded Turntrans-78.5-12.617268.80000113.6S321 T389 T443 A444S321-T446 WeakPolarHBondContact O-CB 3.27Å; T389-T446 HydrophobicContact CG2-CG2 4.01Å; T443-T446 WeakPolarHBondContact O-CB 3.42Å; T443-T446 PolarHBondContact O-N 3.44Å; T443-T446 VanDerWaalsContact O-N 3.13Å; T443-T446 PolarHBondContact O-OG1 3.08Å; A444-T446 PolarHBondContact O-N 2.66Å
447R93.2Very high85.5Confident134 Ų13466.4 Ų66.451%0.50635%0.348SS..SBendtrans-107151.7-171.1-59.7167.751.8150-0.5112.3W358 A444 A445 D449 Y450W358-R447 VanDerWaalsContact CD1-O 3.3Å; A444-R447 WeakPolarHBondContact O-CB 3.09Å; A444-R447 PolarHBondContact O-N 2.74Å; A445-R447 VanDerWaalsContact C-N 3.29Å; R447-D449 WeakPolarHBondContact CB-OD1 3.41Å; R447-D449 IonicContact CZ-OD1 3.72Å; R447-D449 IonicContact CZ-OD2 3.43Å; R447-D449 IonicContact NE-OD1 2.85Å; R447-D449 PolarHBondContact NE-OD1 3.3Å; R447-D449 IonicContact NE-OD2 3.32Å; R447-D449 PolarHBondContact NE-OD2 2.83Å; R447-D449 IonicContact NH2-OD1 3.7Å; R447-D449 IonicContact NH2-OD2 2.73Å; R447-D449 PolarHBondContact NH2-OD2 3.41Å; R447-D449 PolarHBondContact O-N 2.89Å; R447-Y450 WeakPolarHBondContact O-CB 3.44Å; R447-Y450 PolarHBondContact O-N 3.05Å
448P91.7Very high82.6Confident99 Ų9972.7 Ų72.764%0.64338%0.377SS*.G310 helixtrans-63.2-24.2179-21.732.9000114.7P357 Y450P357-P448 HydrophobicContact CB-CB 4.46Å; P357-P448 HydrophobicContact CB-CG 4.06Å; P357-P448 HydrophobicContact CG-CB 4.43Å; P357-P448 HydrophobicContact CG-CG 4.04Å; P448-Y450 VanDerWaalsContact C-N 3.26Å; P448-Y450 PolarHBondContact O-N 3.14Å
449D92.1Very high81.9Confident62 Ų6276.1 Ų76.133%0.33240%0.395SS..G310 helixtrans-83.16.1-178.558.8-21.1000114R447 I451 S452 W453R447-D449 WeakPolarHBondContact CB-OD1 3.41Å; R447-D449 IonicContact CZ-OD1 3.72Å; R447-D449 IonicContact CZ-OD2 3.43Å; R447-D449 IonicContact NE-OD1 2.85Å; R447-D449 PolarHBondContact NE-OD1 3.3Å; R447-D449 IonicContact NE-OD2 3.32Å; R447-D449 PolarHBondContact NE-OD2 2.83Å; R447-D449 IonicContact NH2-OD1 3.7Å; R447-D449 IonicContact NH2-OD2 2.73Å; R447-D449 PolarHBondContact NH2-OD2 3.41Å; R447-D449 PolarHBondContact O-N 2.89Å; D449-I451 VanDerWaalsContact C-N 3.28Å; D449-I451 PolarHBondContact O-N 2.97Å; D449-S452 PolarHBondContact O-N 3Å; D449-S452 PolarHBondContact O-OG 3.18Å; D449-W453 PolarHBondContact O-N 3.26Å
450Y92.8Very high81.1Confident23 Ų2379.5 Ų79.59%0.0941%0.412CS..G310 helixtrans-56.1-37.8-179-179-112.4000113.8T270 W358 E441 A444 A445 R447 P448 S452 W453T270-Y450 HydrophobicContact CG2-CE1 3.86Å; W358-Y450 AromaticContact CD2-CD1 3.76Å; W358-Y450 HydrophobicContact CD2-CD1 3.76Å; W358-Y450 AromaticContact CE2-CD1 3.37Å; W358-Y450 HydrophobicContact CE3-CD1 4.21Å; W358-Y450 HydrophobicContact CG-CD1 4.27Å; W358-Y450 HydrophobicContact CH2-CD1 4.01Å; W358-Y450 AromaticContact CH2-CE1 3.91Å; W358-Y450 HydrophobicContact CH2-CE1 3.91Å; W358-Y450 AromaticContact CZ2-CD1 3.52Å; W358-Y450 HydrophobicContact CZ2-CD1 3.52Å; W358-Y450 AromaticContact CZ2-CE1 3.67Å; W358-Y450 HydrophobicContact CZ2-CE1 3.67Å; W358-Y450 HydrophobicContact CZ2-CG 4.49Å; W358-Y450 HydrophobicContact CZ3-CD1 4.33Å; W358-Y450 HydrophobicContact CZ3-CE1 4.47Å; W358-Y450 AromaticContact NE1-CD1 3.69Å; W358-Y450 AromaticContact NE1-CG 3.93Å; E441-Y450 HydrophobicContact CG-CE2 3.85Å; E441-Y450 PolarHBondContact OE1-OH 2.94Å; A444-Y450 HydrophobicContact CB-CD2 3.93Å; A444-Y450 HydrophobicContact CB-CE2 4.41Å; A445-Y450 VanDerWaalsContact CA-CD2 3.47Å; A445-Y450 HydrophobicContact CB-CD2 3.98Å; A445-Y450 HydrophobicContact CB-CE1 4.47Å; A445-Y450 HydrophobicContact CB-CE2 3.93Å; A445-Y450 HydrophobicContact CB-CG 4.27Å; R447-Y450 WeakPolarHBondContact O-CB 3.44Å; R447-Y450 PolarHBondContact O-N 3.05Å; P448-Y450 VanDerWaalsContact C-N 3.26Å; P448-Y450 PolarHBondContact O-N 3.14Å; Y450-S452 PolarHBondContact O-N 3.36Å; Y450-S452 VanDerWaalsContact O-N 3.15Å; Y450-W453 HydrophobicContact CD2-CB 4.28Å; Y450-W453 WeakPolarHBondContact O-CB 3.36Å; Y450-W453 PolarHBondContact O-N 3.06Å
451I88.4Confident80.3Confident128 Ų12880 Ų8066%0.65641%0.414SS*.G310 helixtrans-59-30.8179.2-63.9170.8000111.3W358 D449W358-I451 HydrophobicContact CB-CD1 4.01Å; W358-I451 HydrophobicContact CB-CG1 4.05Å; W358-I451 HydrophobicContact CE3-CG1 4.43Å; D449-I451 VanDerWaalsContact C-N 3.28Å; D449-I451 PolarHBondContact O-N 2.97Å
452S86.8Confident79.4Confident47 Ų4784.1 Ų84.133%0.32944%0.436SS..G310 helixtrans-96.50.2177.348.40000114.5D449 Y450 G454 T455D449-S452 PolarHBondContact O-N 3Å; D449-S452 PolarHBondContact O-OG 3.18Å; Y450-S452 PolarHBondContact O-N 3.36Å; Y450-S452 VanDerWaalsContact O-N 3.15Å; S452-G454 VanDerWaalsContact C-N 3.35Å; S452-G454 PolarHBondContact O-N 2.7Å; S452-T455 WeakPolarHBondContact CA-OG1 3.33Å; S452-T455 PolarHBondContact O-N 3.13Å; S452-T455 PolarHBondContact O-OG1 3.07Å
453W77.9Confident78.4Confident99 Ų9989.3 Ų89.338%0.37546%0.463SS..THydrogen-bonded Turntrans-63.4-36.4-168.9-177.175.5000113.7D440 E441 A444 D449 Y450D440-W453 HydrophobicContact CB-CZ2 4.34Å; E441-W453 HydrophobicContact CB-CH2 3.8Å; E441-W453 HydrophobicContact CB-CZ3 3.85Å; E441-W453 HydrophobicContact CG-CE3 4.21Å; E441-W453 HydrophobicContact CG-CH2 4.19Å; E441-W453 HydrophobicContact CG-CZ3 3.7Å; A444-W453 HydrophobicContact CB-CB 4.48Å; A444-W453 VanDerWaalsContact CB-CD1 3.42Å; A444-W453 HydrophobicContact CB-CD2 3.68Å; A444-W453 HydrophobicContact CB-CG 3.62Å; A444-W453 HydrophobicContact CB-CZ2 4.22Å; A444-W453 VanDerWaalsContact CB-NE1 3.34Å; D449-W453 PolarHBondContact O-N 3.26Å; Y450-W453 HydrophobicContact CD2-CB 4.28Å; Y450-W453 WeakPolarHBondContact O-CB 3.36Å; Y450-W453 PolarHBondContact O-N 3.06Å
454G66.4Low77.4Confident48 Ų4890.9 Ų90.950%0.49547%0.467SS..THydrogen-bonded Turntrans-94-1.7177.900000115.5S452S452-G454 VanDerWaalsContact C-N 3.35Å; S452-G454 PolarHBondContact O-N 2.7Å
455T60.8Low76.2Confident99 Ų9997.1 Ų97.161%0.60750%0.498SS*.THydrogen-bonded Turntrans-94.2-5.4-179.939.60000113.2S452S452-T455 WeakPolarHBondContact CA-OG1 3.33Å; S452-T455 PolarHBondContact O-N 3.13Å; S452-T455 PolarHBondContact O-OG1 3.07Å
456Q49Very low74.8Confident167 Ų167104.5 Ų104.578%0.7854%0.536SS*.THydrogen-bonded Turntrans-87.1-4.6175.9-66.7-173.4-800113.6
457E46.2Very low73.3Confident183 Ų183111.2 Ų111.286%0.85557%0.568SS**THydrogen-bonded Turntrans-109.116.1179.8-71.6-170.7157.400114.4
458Q33.7Very low71.4Confident245 Ų245109.1 Ų109.1100%1.14557%0.573SS**  trans-110.60172.7-80.7-172.3-6.200113.4

Retrieved 458 of 458 residues in 139 ms (Link to these results)

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